(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine

C17H20ClN — CID 106816985

IUPAC(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2ccccc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-12-6-4-5-7-16(12)14(3)19-11-15-9-8-13(2)17(18)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyNSAONVKBNSCSSX-CQSZACIVSA-N
MW273.81 g/mol
LogP4.81
Rot. Bonds4

About (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine

(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 106816985) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID106816985
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccc(CN[C@H](C)c2ccccc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-12-6-4-5-7-16(12)14(3)19-11-15-9-8-13(2)17(18)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyNSAONVKBNSCSSX-CQSZACIVSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 78805239
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
N-[(3,4-dichlorophenyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 63449103
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine (CID 106816985) is (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccc(CN[C@H](C)c2ccccc2C)cc1Cl.
What is the InChIKey of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is NSAONVKBNSCSSX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-6-4-5-7-16(12)14(3)19-11-15-9-8-13(2)17(18)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 106816985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).