1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine

C15H15BrClN — CID 81472195

IUPAC1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H15BrClN/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyFSOHOMQNCIQTPZ-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.65
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine

1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine (PubChem CID 81472195) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
PubChem CID81472195
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C15H15BrClN/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyFSOHOMQNCIQTPZ-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
1-(3-bromo-4-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanamine
CID 115566630
2-(3-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)ethanamine
CID 115818982
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine (CID 81472195) is 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine?
The InChIKey is FSOHOMQNCIQTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10-2-5-12(9-14(10)16)15(18)8-11-3-6-13(17)7-4-11/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine?
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine is sourced from PubChem (CID 81472195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).