(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine

C14H13Br2N — CID 81472586

IUPAC(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2N/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,17H2,1H3
InChIKeyBNPXUQHVSXFJHW-UHFFFAOYSA-N
MW355.07 g/mol
LogP4.57
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine

(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine (PubChem CID 81472586) has the molecular formula C14H13Br2N and a molecular weight of 355.07 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
PubChem CID81472586
Molecular FormulaC14H13Br2N
Molecular Weight355.07 g/mol
Exact Mass352.94
IUPAC Name(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(Br)cc2)cc1Br
InChIInChI=1S/C14H13Br2N/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,17H2,1H3
InChIKeyBNPXUQHVSXFJHW-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.07
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-[bromo-(4-bromophenyl)methyl]-1-methylbenzene
CID 81476813
(3-bromo-4-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 81472287
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
(3-bromo-4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 81471918
1-(3-bromo-4-methylphenyl)propane-1,2-diamine
CID 131002270
(1R)-1-(3-bromo-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 130731554
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(S)-(3-bromo-4-methylphenyl)-thiophen-2-ylmethanamine
CID 171203908
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine (CID 81472586) is (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine is Cc1ccc(C(N)c2ccc(Br)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine?
The InChIKey is BNPXUQHVSXFJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N/c1-9-2-3-11(8-13(9)16)14(17)10-4-6-12(15)7-5-10/h2-8,14H,17H2,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine?
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine has a molecular weight of 355.07 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine is sourced from PubChem (CID 81472586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).