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

C15H15Br2N — CID 81471892

IUPAC1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H15Br2N/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyVWDBCYWTYOMWBK-UHFFFAOYSA-N
MW369.10 g/mol
LogP4.76
Rot. Bonds3

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

1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine (PubChem CID 81471892) has the molecular formula C15H15Br2N and a molecular weight of 369.10 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
PubChem CID81471892
Molecular FormulaC15H15Br2N
Molecular Weight369.10 g/mol
Exact Mass366.96
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)cc2)cc1Br
InChIInChI=1S/C15H15Br2N/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15H,8,18H2,1H3
InChIKeyVWDBCYWTYOMWBK-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.10
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-(4-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 55026181
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
1-(4-bromo-3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844346
(1S)-1-(3-bromo-4-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 171203882
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
1-(3-bromo-4-methylphenyl)but-3-en-1-amine
CID 112693680
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
(1R)-1-(3-bromo-4-methylphenyl)butane-1,4-diamine
CID 171203884
2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine (CID 81471892) is 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Br)cc2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine?
The InChIKey is VWDBCYWTYOMWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2N/c1-10-2-5-12(9-14(10)17)15(18)8-11-3-6-13(16)7-4-11/h2-7,9,15H,8,18H2,1H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine?
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine has a molecular weight of 369.10 g/mol, XLogP of 4.76, 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-bromophenyl)ethanamine is sourced from PubChem (CID 81471892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).