N-(3-chlorophenyl)naphthalen-1-amine

C16H12ClN — CID 24986190

IUPACN-(3-chlorophenyl)naphthalen-1-amine
SMILESClc1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
InChIKeyQEYYTVWDRYNDJO-UHFFFAOYSA-N
MW253.73 g/mol
LogP5.24
Rot. Bonds2

About N-(3-chlorophenyl)naphthalen-1-amine

N-(3-chlorophenyl)naphthalen-1-amine (PubChem CID 24986190) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)naphthalen-1-amine
PubChem CID24986190
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC NameN-(3-chlorophenyl)naphthalen-1-amine
SMILESClc1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H
InChIKeyQEYYTVWDRYNDJO-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.73
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)naphthalen-1-amine?
The IUPAC name of N-(3-chlorophenyl)naphthalen-1-amine (CID 24986190) is N-(3-chlorophenyl)naphthalen-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)naphthalen-1-amine?
The canonical SMILES for N-(3-chlorophenyl)naphthalen-1-amine is Clc1cccc(Nc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)naphthalen-1-amine?
The InChIKey is QEYYTVWDRYNDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-13-7-4-8-14(11-13)18-16-10-3-6-12-5-1-2-9-15(12)16/h1-11,18H.
What are the key properties of N-(3-chlorophenyl)naphthalen-1-amine?
N-(3-chlorophenyl)naphthalen-1-amine has a molecular weight of 253.73 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)naphthalen-1-amine is sourced from PubChem (CID 24986190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).