(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine

C16H18BrN — CID 114330275

IUPAC(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H18BrN/c1-10-6-4-5-7-14(10)16(18)13-8-11(2)15(17)12(3)9-13/h4-9,16H,18H2,1-3H3
InChIKeyGDUARHFZKRNFHC-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.42
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine

(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine (PubChem CID 114330275) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
PubChem CID114330275
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
SMILESCc1ccccc1C(N)c1cc(C)c(Br)c(C)c1
InChIInChI=1S/C16H18BrN/c1-10-6-4-5-7-14(10)16(18)13-8-11(2)15(17)12(3)9-13/h4-9,16H,18H2,1-3H3
InChIKeyGDUARHFZKRNFHC-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)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

(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(2-methylphenyl)-phenylmethanamine
CID 15254157
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(2-methylphenyl)-(3-methylphenyl)methanamine
CID 43828955
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(2-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43095843
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(4-methoxyphenyl)-(2-methylphenyl)methanamine
CID 24688459
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(2,3-dimethylphenyl)-(2-methylphenyl)methanamine
CID 55085139
(4-bromo-3,5-dimethylphenyl)-(furan-3-yl)methanamine
CID 114330324
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine (CID 114330275) is (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine is Cc1ccccc1C(N)c1cc(C)c(Br)c(C)c1.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine?
The InChIKey is GDUARHFZKRNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-10-6-4-5-7-14(10)16(18)13-8-11(2)15(17)12(3)9-13/h4-9,16H,18H2,1-3H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine is sourced from PubChem (CID 114330275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).