N-Methyl-4-chlorophenethylamine - CAS 38171-31-2

Name: N-Methyl-4-chlorophenethylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023558
Product Name:	N-Methyl-4-chlorophenethylamine
CAS:	38171-31-2
Synonyms:	2-(4-chlorophenyl)-N-methylethanamine; 2-(4-chlorophenyl)-N-methylethanamine

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Computed Properties

IUPAC Name:	2-(4-chlorophenyl)-N-methylethanamine
Description:	N-Methyl-4-chlorophenethylamine (CAS# 38171-31-2) is a useful reactant for organic reactions and synthesis.
Molecular Weight:	169.65
Molecular Formula:	C9H12ClN
Canonical SMILES:	CNCCC1=CC=C(C=C1)Cl
InChI:	InChI=1S/C9H12ClN/c1-11-7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7H2,1H3
InChI Key:	VCSUCPDSYSXLEX-UHFFFAOYSA-N
Boiling Point:	237 °C at 760 mmHg
Density:	1.063 g/cm³
Appearance:	Colorless to light yellow liquid or solid
MDL:	MFCD06738716
LogP:	2.49280

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Related Functional Groups

Amines and Anilines

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[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1550-50-1]C4H7F4N
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
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Publication Number	Title	Priority Date
WO-2021188620-A1	Peptidomimetic n5-methyl-n2-(nonanoyl-l-leucyl)-l-glutaminate derivatives, triazaspiro[4.14]nonadecane derivatives and similar compounds as inhibitors of norovirus and coronavirus replication	20200317
EP-3575287-A1	Inhibitors of n-acylphosphatidylethanolamine phospholipase d (nape-pld)	20180531
WO-2019173507-A1	Antibacterial agents : arylalkylcarboxamido phloroglucinols	20180306
US-2021017126-A1	Antibacterial Agents: Arylalkylcarboxamido Phloroglucinols	20180306
WO-2019161162-A1	P300/cbp hat inhibitors	20180216

Complexity:	97.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.0658271
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.0658271
Rotatable Bond Count:	3
Topological Polar Surface Area:	12
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4