1-[4-(tert-Butyl)phenyl]cyclopropanamine - CAS 1096856-98-2
Catalog: |
BB002531 |
Product Name: |
1-[4-(tert-Butyl)phenyl]cyclopropanamine |
CAS: |
1096856-98-2 |
Synonyms: |
1-(4-tert-butylphenyl)-1-cyclopropanamine; 1-(4-tert-butylphenyl)cyclopropan-1-amine |
IUPAC Name: | 1-(4-tert-butylphenyl)cyclopropan-1-amine |
Description: | 1-[4-(tert-Butyl)phenyl]cyclopropanamine (CAS# 1096856-98-2) is a useful research chemical. |
Molecular Weight: | 189.30 |
Molecular Formula: | C13H19N |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C2(CC2)N |
InChI: | InChI=1S/C13H19N/c1-12(2,3)10-4-6-11(7-5-10)13(14)8-9-13/h4-7H,8-9,14H2,1-3H3 |
InChI Key: | FGMYLUCDARKECM-UHFFFAOYSA-N |
LogP: | 3.63220 |
Publication Number | Title | Priority Date |
US-2021070748-A1 | Inhibitors of brutons tyrosine kinase | 20150602 |
US-2018030027-A1 | Inhibitors of bruton's tyrosine kinase | 20131205 |
US-2019100505-A1 | Inhibitors of bruton's tyrosine kinase | 20131205 |
US-9656988-B2 | Inhibitors of Bruton's tyrosine kinase | 20131205 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.15174961 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.15174961 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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