(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine

C15H14Br2ClN — CID 83230594

IUPAC(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2ClN/c1-10(12-3-5-13(16)6-4-12)19-9-11-2-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyPWXIDURMFXUSPA-JTQLQIEISA-N
MW403.55 g/mol
LogP5.72
Rot. Bonds4

About (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine

(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine (PubChem CID 83230594) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
PubChem CID83230594
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1
InChIInChI=1S/C15H14Br2ClN/c1-10(12-3-5-13(16)6-4-12)19-9-11-2-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyPWXIDURMFXUSPA-JTQLQIEISA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
(1R)-1-(4-bromophenyl)-N-[(4-chloro-3-fluorophenyl)methyl]ethanamine
CID 78921742
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 81355163
1-(4-bromophenyl)-N-[(3,4-dimethylphenyl)methyl]ethanamine
CID 60658197
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(2-bromophenyl)ethanamine
CID 83230762
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 81353451
(1R)-1-(4-bromophenyl)-N-[(2,5-dichlorophenyl)methyl]ethanamine
CID 81360024
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
(2R)-2-[(3-bromo-4-chlorophenyl)methylamino]propan-1-ol
CID 114987242
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine?
The IUPAC name of (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine (CID 83230594) is (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine is C[C@H](NCc1ccc(Cl)c(Br)c1)c1ccc(Br)cc1.
What is the InChIKey of (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine?
The InChIKey is PWXIDURMFXUSPA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-10(12-3-5-13(16)6-4-12)19-9-11-2-7-15(18)14(17)8-11/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine?
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine has a molecular weight of 403.55 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine is sourced from PubChem (CID 83230594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).