4-bromo-N,N-dimethylnaphthalen-1-amine

C12H12BrN — CID 4083804

IUPAC4-bromo-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H12BrN/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyCWPDFSZHOZTGQW-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.67
Rot. Bonds1

About 4-bromo-N,N-dimethylnaphthalen-1-amine

4-bromo-N,N-dimethylnaphthalen-1-amine (PubChem CID 4083804) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 4-bromo-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethylnaphthalen-1-amine
PubChem CID4083804
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name4-bromo-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(Br)c2ccccc12
InChIInChI=1S/C12H12BrN/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,1-2H3
InChIKeyCWPDFSZHOZTGQW-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-N,N-dimethylnaphthalen-1-amine 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 4-bromo-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-bromo-N,N-dimethylnaphthalen-1-amine (CID 4083804) is 4-bromo-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-bromo-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-bromo-N,N-dimethylnaphthalen-1-amine is CN(C)c1ccc(Br)c2ccccc12.
What is the InChIKey of 4-bromo-N,N-dimethylnaphthalen-1-amine?
The InChIKey is CWPDFSZHOZTGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN/c1-14(2)12-8-7-11(13)9-5-3-4-6-10(9)12/h3-8H,1-2H3.
What are the key properties of 4-bromo-N,N-dimethylnaphthalen-1-amine?
4-bromo-N,N-dimethylnaphthalen-1-amine has a molecular weight of 250.14 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 4083804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).