4-Bromo-alpha,alpha-dimethylbenzylamine - CAS 17797-12-5

Catalog:	BB013363
Product Name:	4-Bromo-alpha,alpha-dimethylbenzylamine
CAS:	17797-12-5
Synonyms:	2-(4-bromophenyl)-2-propanamine; 2-(4-bromophenyl)propan-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(4-bromophenyl)propan-2-amine
Description:	2-(4-Bromophenyl)propan-2-amine acts as a reagent for the synthesis of biaryl diamides as potent melanin concentrating hormone receptor 1 antagonist.
Molecular Weight:	214.10
Molecular Formula:	C9H12BrN
Canonical SMILES:	CC(C)(C1=CC=C(C=C1)Br)N
InChI:	InChI=1S/C9H12BrN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
InChI Key:	IQKKTIWXHJDLFL-UHFFFAOYSA-N
Boiling Point:	268 °C
Density:	1.342 g/cm³
MDL:	MFCD06797600
LogP:	3.34320

Publication Number	Title	Priority Date
US-2021251982-A1	Methods for treating neurological symptoms associated with lysosomal storage diseases	20200203
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WO-2021117846-A1	Compound serving as pdgf receptor kinase inhibitor, and composition	20191213
WO-2021087181-A1	Substituted pyrazole compounds as toll receptor inhibitors	20191101
US-2021061802-A1	Substituted pyridopyrimidinonyl compounds useful as t cell activators	20190828

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Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.01531
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.01531
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1