7-chloro-8-fluoro-N-methylnaphthalen-1-amine

C11H9ClFN — CID 164922493

IUPAC7-chloro-8-fluoro-N-methylnaphthalen-1-amine
SMILESCNc1cccc2ccc(Cl)c(F)c12
InChIInChI=1S/C11H9ClFN/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,14H,1H3
InChIKeyKAQMKCMQCXZXKH-UHFFFAOYSA-N
MW209.65 g/mol
LogP3.67
Rot. Bonds1

About 7-chloro-8-fluoro-N-methylnaphthalen-1-amine

7-chloro-8-fluoro-N-methylnaphthalen-1-amine (PubChem CID 164922493) has the molecular formula C11H9ClFN and a molecular weight of 209.65 g/mol. Its IUPAC name is 7-chloro-8-fluoro-N-methylnaphthalen-1-amine.

Molecular Properties

Compound Name7-chloro-8-fluoro-N-methylnaphthalen-1-amine
PubChem CID164922493
Molecular FormulaC11H9ClFN
Molecular Weight209.65 g/mol
Exact Mass209.04
IUPAC Name7-chloro-8-fluoro-N-methylnaphthalen-1-amine
SMILESCNc1cccc2ccc(Cl)c(F)c12
InChIInChI=1S/C11H9ClFN/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,14H,1H3
InChIKeyKAQMKCMQCXZXKH-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-chloro-8-fluoro-N-methylnaphthalen-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 7-chloro-8-fluoro-N-methylnaphthalen-1-amine?
The IUPAC name of 7-chloro-8-fluoro-N-methylnaphthalen-1-amine (CID 164922493) is 7-chloro-8-fluoro-N-methylnaphthalen-1-amine.
What is the SMILES notation for 7-chloro-8-fluoro-N-methylnaphthalen-1-amine?
The canonical SMILES for 7-chloro-8-fluoro-N-methylnaphthalen-1-amine is CNc1cccc2ccc(Cl)c(F)c12.
What is the InChIKey of 7-chloro-8-fluoro-N-methylnaphthalen-1-amine?
The InChIKey is KAQMKCMQCXZXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN/c1-14-9-4-2-3-7-5-6-8(12)11(13)10(7)9/h2-6,14H,1H3.
What are the key properties of 7-chloro-8-fluoro-N-methylnaphthalen-1-amine?
7-chloro-8-fluoro-N-methylnaphthalen-1-amine has a molecular weight of 209.65 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-fluoro-N-methylnaphthalen-1-amine is sourced from PubChem (CID 164922493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).