4-chloro-2-naphthalen-2-ylaniline

C16H12ClN — CID 81275231

IUPAC4-chloro-2-naphthalen-2-ylaniline
SMILESNc1ccc(Cl)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H12ClN/c17-14-7-8-16(18)15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2
InChIKeyWZZRIHWICUCABS-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.74
Rot. Bonds1

About 4-chloro-2-naphthalen-2-ylaniline

4-chloro-2-naphthalen-2-ylaniline (PubChem CID 81275231) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-chloro-2-naphthalen-2-ylaniline.

Molecular Properties

Compound Name4-chloro-2-naphthalen-2-ylaniline
PubChem CID81275231
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name4-chloro-2-naphthalen-2-ylaniline
SMILESNc1ccc(Cl)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H12ClN/c17-14-7-8-16(18)15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2
InChIKeyWZZRIHWICUCABS-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 54.74
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 4-chloro-2-naphthalen-2-ylaniline?
The IUPAC name of 4-chloro-2-naphthalen-2-ylaniline (CID 81275231) is 4-chloro-2-naphthalen-2-ylaniline.
What is the SMILES notation for 4-chloro-2-naphthalen-2-ylaniline?
The canonical SMILES for 4-chloro-2-naphthalen-2-ylaniline is Nc1ccc(Cl)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 4-chloro-2-naphthalen-2-ylaniline?
The InChIKey is WZZRIHWICUCABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-14-7-8-16(18)15(10-14)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,18H2.
What are the key properties of 4-chloro-2-naphthalen-2-ylaniline?
4-chloro-2-naphthalen-2-ylaniline has a molecular weight of 253.73 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-naphthalen-2-ylaniline is sourced from PubChem (CID 81275231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).