4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine

C13H14ClN — CID 146553418

IUPAC4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(CCl)c2ccccc12
InChIInChI=1S/C13H14ClN/c1-15(2)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,9H2,1-2H3
InChIKeyIZAWXAUFKOMLCP-UHFFFAOYSA-N
MW219.71 g/mol
LogP3.64
Rot. Bonds2

About 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine

4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine (PubChem CID 146553418) has the molecular formula C13H14ClN and a molecular weight of 219.71 g/mol. Its IUPAC name is 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine
PubChem CID146553418
Molecular FormulaC13H14ClN
Molecular Weight219.71 g/mol
Exact Mass219.08
IUPAC Name4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine
SMILESCN(C)c1ccc(CCl)c2ccccc12
InChIInChI=1S/C13H14ClN/c1-15(2)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,9H2,1-2H3
InChIKeyIZAWXAUFKOMLCP-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-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-(chloromethyl)-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine (CID 146553418) is 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine is CN(C)c1ccc(CCl)c2ccccc12.
What is the InChIKey of 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine?
The InChIKey is IZAWXAUFKOMLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-15(2)13-8-7-10(9-14)11-5-3-4-6-12(11)13/h3-8H,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine?
4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine has a molecular weight of 219.71 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 146553418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).