1-(4-bromo-3-methylphenyl)-N-methylmethanamine

C9H12BrN — CID 18960622

IUPAC1-(4-bromo-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)c(C)c1
InChIInChI=1S/C9H12BrN/c1-7-5-8(6-11-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3
InChIKeySVPWYIIREAOWLM-UHFFFAOYSA-N
MW214.11 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-N-methylmethanamine (PubChem CID 18960622) has the molecular formula C9H12BrN and a molecular weight of 214.11 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-methylmethanamine
PubChem CID18960622
Molecular FormulaC9H12BrN
Molecular Weight214.11 g/mol
Exact Mass213.02
IUPAC Name1-(4-bromo-3-methylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(Br)c(C)c1
InChIInChI=1S/C9H12BrN/c1-7-5-8(6-11-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3
InChIKeySVPWYIIREAOWLM-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(4-bromo-3-methylphenyl)-N-methylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-methylmethanamine (CID 18960622) is 1-(4-bromo-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-methylmethanamine is CNCc1ccc(Br)c(C)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-methylmethanamine?
The InChIKey is SVPWYIIREAOWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN/c1-7-5-8(6-11-2)3-4-9(7)10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-N-methylmethanamine has a molecular weight of 214.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 18960622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).