4-(4-chloronaphthalen-1-yl)aniline

C16H12ClN — CID 79597038

IUPAC4-(4-chloronaphthalen-1-yl)aniline
SMILESNc1ccc(-c2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C16H12ClN/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H,18H2
InChIKeySMIWHJQXMXPNDP-UHFFFAOYSA-N
MW253.73 g/mol
LogP4.74
Rot. Bonds1

About 4-(4-chloronaphthalen-1-yl)aniline

4-(4-chloronaphthalen-1-yl)aniline (PubChem CID 79597038) has the molecular formula C16H12ClN and a molecular weight of 253.73 g/mol. Its IUPAC name is 4-(4-chloronaphthalen-1-yl)aniline.

Molecular Properties

Compound Name4-(4-chloronaphthalen-1-yl)aniline
PubChem CID79597038
Molecular FormulaC16H12ClN
Molecular Weight253.73 g/mol
Exact Mass253.07
IUPAC Name4-(4-chloronaphthalen-1-yl)aniline
SMILESNc1ccc(-c2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C16H12ClN/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H,18H2
InChIKeySMIWHJQXMXPNDP-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-(4-chloronaphthalen-1-yl)aniline?
The IUPAC name of 4-(4-chloronaphthalen-1-yl)aniline (CID 79597038) is 4-(4-chloronaphthalen-1-yl)aniline.
What is the SMILES notation for 4-(4-chloronaphthalen-1-yl)aniline?
The canonical SMILES for 4-(4-chloronaphthalen-1-yl)aniline is Nc1ccc(-c2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of 4-(4-chloronaphthalen-1-yl)aniline?
The InChIKey is SMIWHJQXMXPNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN/c17-16-10-9-13(11-5-7-12(18)8-6-11)14-3-1-2-4-15(14)16/h1-10H,18H2.
What are the key properties of 4-(4-chloronaphthalen-1-yl)aniline?
4-(4-chloronaphthalen-1-yl)aniline 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-(4-chloronaphthalen-1-yl)aniline is sourced from PubChem (CID 79597038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).