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

C15H14BrCl2N — CID 82774626

IUPAC1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-10(14-6-5-12(16)8-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyRXPHAHCNZGWBGK-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.61
Rot. Bonds4

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

1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine (PubChem CID 82774626) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
PubChem CID82774626
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-10(14-6-5-12(16)8-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3
InChIKeyRXPHAHCNZGWBGK-UHFFFAOYSA-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

1-(5-bromo-2-fluorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 82964641
N-[(3-bromophenyl)methyl]-1-(2,4-dibromophenyl)ethanamine
CID 55191985
2-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
(1S)-N-[(4-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 11738554
(1S)-N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-(3-chlorophenyl)ethanamine
CID 82773741
1-(4-bromo-2-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 82775829
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
1-(2,4-dichlorophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 43080562

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine (CID 82774626) is 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine is CC(NCc1cccc(Cl)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
The InChIKey is RXPHAHCNZGWBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-10(14-6-5-12(16)8-15(14)18)19-9-11-3-2-4-13(17)7-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine?
1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)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 1-(4-bromo-2-chlorophenyl)-N-[(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 82774626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).