(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine

C16H18BrN — CID 81363977

IUPAC(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2ccccc2Br)c1
InChIInChI=1S/C16H18BrN/c1-12-6-5-8-14(10-12)13(2)18-11-15-7-3-4-9-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyCVKYVQKPZZPFIZ-ZDUSSCGKSA-N
MW304.23 g/mol
LogP4.61
Rot. Bonds4

About (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81363977) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81363977
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@H](C)NCc2ccccc2Br)c1
InChIInChI=1S/C16H18BrN/c1-12-6-5-8-14(10-12)13(2)18-11-15-7-3-4-9-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1
InChIKeyCVKYVQKPZZPFIZ-ZDUSSCGKSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950405
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
N-[(2-bromophenyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 60942332
(1R)-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 81369208
N-[2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenyl]acetamide
CID 81369235
ethyl 3-[1-[(2-bromophenyl)methylamino]ethyl]benzoate;hydrochloride
CID 172883137
4-methyl-2-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81360761
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
(1R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 104930243
(1R)-N-[(3-bromofuran-2-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 106885424

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81363977) is (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@H](C)NCc2ccccc2Br)c1.
What is the InChIKey of (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is CVKYVQKPZZPFIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-6-5-8-14(10-12)13(2)18-11-15-7-3-4-9-16(15)17/h3-10,13,18H,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-bromophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).