6-chloronaphthalen-1-amine

C10H8ClN — CID 23423648

IUPAC6-chloronaphthalen-1-amine
SMILESNc1cccc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,12H2
InChIKeyVCARWOLXSNJYKS-UHFFFAOYSA-N
MW177.63 g/mol
LogP3.08
Rot. Bonds

About 6-chloronaphthalen-1-amine

6-chloronaphthalen-1-amine (PubChem CID 23423648) has the molecular formula C10H8ClN and a molecular weight of 177.63 g/mol. Its IUPAC name is 6-chloronaphthalen-1-amine.

Molecular Properties

Compound Name6-chloronaphthalen-1-amine
PubChem CID23423648
Molecular FormulaC10H8ClN
Molecular Weight177.63 g/mol
Exact Mass177.03
IUPAC Name6-chloronaphthalen-1-amine
SMILESNc1cccc2cc(Cl)ccc12
InChIInChI=1S/C10H8ClN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,12H2
InChIKeyVCARWOLXSNJYKS-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloronaphthalen-1-amine?
The IUPAC name of 6-chloronaphthalen-1-amine (CID 23423648) is 6-chloronaphthalen-1-amine.
What is the SMILES notation for 6-chloronaphthalen-1-amine?
The canonical SMILES for 6-chloronaphthalen-1-amine is Nc1cccc2cc(Cl)ccc12.
What is the InChIKey of 6-chloronaphthalen-1-amine?
The InChIKey is VCARWOLXSNJYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-6H,12H2.
What are the key properties of 6-chloronaphthalen-1-amine?
6-chloronaphthalen-1-amine has a molecular weight of 177.63 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloronaphthalen-1-amine is sourced from PubChem (CID 23423648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).