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

C16H17Br2N — CID 81355163

IUPAC(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-11-9-13(3-8-16(11)18)10-19-12(2)14-4-6-15(17)7-5-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyLHGAQGNDROHCEL-GFCCVEGCSA-N
MW383.13 g/mol
LogP5.37
Rot. Bonds4

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

(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine (PubChem CID 81355163) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
PubChem CID81355163
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESCc1cc(CN[C@H](C)c2ccc(Br)cc2)ccc1Br
InChIInChI=1S/C16H17Br2N/c1-11-9-13(3-8-16(11)18)10-19-12(2)14-4-6-15(17)7-5-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1
InChIKeyLHGAQGNDROHCEL-GFCCVEGCSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
(1S)-1-(4-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81353609
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406056
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
1-(4-bromophenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43181981
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81373666
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(4-bromo-3-methylphenyl)methyl]-3-methylbutan-2-amine
CID 66472384
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The IUPAC name of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine (CID 81355163) is (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine is Cc1cc(CN[C@H](C)c2ccc(Br)cc2)ccc1Br.
What is the InChIKey of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine?
The InChIKey is LHGAQGNDROHCEL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-11-9-13(3-8-16(11)18)10-19-12(2)14-4-6-15(17)7-5-14/h3-9,12,19H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine?
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.37, 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-(4-bromophenyl)ethanamine is sourced from PubChem (CID 81355163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).