(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine

C15H14BrCl2N — CID 81382922

IUPAC(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-10(14-4-2-3-5-15(14)16)19-9-11-6-12(17)8-13(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyDAZLXQQFJHDUFO-JTQLQIEISA-N
MW359.09 g/mol
LogP5.61
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine (PubChem CID 81382922) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
PubChem CID81382922
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1Br
InChIInChI=1S/C15H14BrCl2N/c1-10(14-4-2-3-5-15(14)16)19-9-11-6-12(17)8-13(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyDAZLXQQFJHDUFO-JTQLQIEISA-N
XLogP5.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
(1S)-1-(2-bromophenyl)-N-[(3,4-dibromophenyl)methyl]ethanamine
CID 104865453
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 43221213
(1R)-1-(2-bromophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 30615952
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
(1S)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 104928541
(1S)-1-(2-bromophenyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 81383552
(1S)-1-(2-bromophenyl)-N-[(3-fluoro-5-nitrophenyl)methyl]ethanamine
CID 103954477
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 51675565
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
N-[4-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]phenyl]acetamide
CID 27655078

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine (CID 81382922) is (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine is C[C@H](NCc1cc(Cl)cc(Cl)c1)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is DAZLXQQFJHDUFO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-10(14-4-2-3-5-15(14)16)19-9-11-6-12(17)8-13(18)7-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 359.09 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 81382922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).