(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine

C16H16BrCl2N — CID 82773741

IUPAC(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrCl2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeySOQOZBSYSULCGH-VUWPPUDQSA-N
MW373.12 g/mol
LogP6.17
Rot. Bonds4

About (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine

(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 82773741) has the molecular formula C16H16BrCl2N and a molecular weight of 373.12 g/mol. Its IUPAC name is (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
PubChem CID82773741
Molecular FormulaC16H16BrCl2N
Molecular Weight373.12 g/mol
Exact Mass370.98
IUPAC Name(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
SMILESCC(N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C16H16BrCl2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1
InChIKeySOQOZBSYSULCGH-VUWPPUDQSA-N
XLogP6.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.12
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82964670
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 43767407
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-bromophenyl)ethanamine
CID 82963517
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 82777077
(1R)-N-[1-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81382583
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
1-(4-bromo-2-chlorophenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 114158485
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82774626
(1S)-1-(3-chlorophenyl)-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81366290
N-[1-(4-bromo-2-fluorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 82963187
2-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-phenylacetic acid
CID 82775621

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine (CID 82773741) is (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is CC(N[C@@H](C)c1cccc(Cl)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is SOQOZBSYSULCGH-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H16BrCl2N/c1-10(12-4-3-5-14(18)8-12)20-11(2)15-7-6-13(17)9-16(15)19/h3-11,20H,1-2H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine?
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 373.12 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 82773741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).