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

C17H20BrN — CID 81373666

IUPAC(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccccc2C)ccc1Br
InChIInChI=1S/C17H20BrN/c1-12-6-4-5-7-16(12)14(3)19-11-15-8-9-17(18)13(2)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyVMDCTWCQXNNLTG-CQSZACIVSA-N
MW318.26 g/mol
LogP4.92
Rot. Bonds4

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

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81373666) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81373666
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccccc2C)ccc1Br
InChIInChI=1S/C17H20BrN/c1-12-6-4-5-7-16(12)14(3)19-11-15-8-9-17(18)13(2)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyVMDCTWCQXNNLTG-CQSZACIVSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3,4-dibromophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104865448
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 28652647
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
(1S)-N-[[4-(difluoromethyl)phenyl]methyl]-1-(2-methylphenyl)ethanamine
CID 115524148
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine (CID 81373666) is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine is Cc1cc(CN[C@H](C)c2ccccc2C)ccc1Br.
What is the InChIKey of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is VMDCTWCQXNNLTG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20BrN/c1-12-6-4-5-7-16(12)14(3)19-11-15-8-9-17(18)13(2)10-15/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine?
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 318.26 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81373666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).