1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine

C16H18BrN — CID 113460856

IUPAC1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-11-4-3-5-13(6-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3
InChIKeyXMAGZEIWMKQXDL-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.31
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine

1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine (PubChem CID 113460856) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
PubChem CID113460856
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cc(C)cc(Br)c2)c1
InChIInChI=1S/C16H18BrN/c1-11-4-3-5-13(6-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3
InChIKeyXMAGZEIWMKQXDL-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine 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

1-(3-bromo-5-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 104853137
1-(6-bromonaphthalen-2-yl)-2-(3-methylphenyl)ethanamine
CID 115354108
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891519
1-(3,5-dibromophenyl)-2-(4-methylphenyl)ethanamine
CID 107973615
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine (CID 113460856) is 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2cc(C)cc(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine?
The InChIKey is XMAGZEIWMKQXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-4-3-5-13(6-11)9-16(18)14-7-12(2)8-15(17)10-14/h3-8,10,16H,9,18H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine?
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 113460856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).