2-(4-chloronaphthalen-1-yl)-5-methylaniline

C17H14ClN — CID 82766855

IUPAC2-(4-chloronaphthalen-1-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc(Cl)c3ccccc23)c(N)c1
InChIInChI=1S/C17H14ClN/c1-11-6-7-15(17(19)10-11)13-8-9-16(18)14-5-3-2-4-12(13)14/h2-10H,19H2,1H3
InChIKeyICLVYMKNHVVWLZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP5.05
Rot. Bonds1

About 2-(4-chloronaphthalen-1-yl)-5-methylaniline

2-(4-chloronaphthalen-1-yl)-5-methylaniline (PubChem CID 82766855) has the molecular formula C17H14ClN and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(4-chloronaphthalen-1-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(4-chloronaphthalen-1-yl)-5-methylaniline
PubChem CID82766855
Molecular FormulaC17H14ClN
Molecular Weight267.76 g/mol
Exact Mass267.08
IUPAC Name2-(4-chloronaphthalen-1-yl)-5-methylaniline
SMILESCc1ccc(-c2ccc(Cl)c3ccccc23)c(N)c1
InChIInChI=1S/C17H14ClN/c1-11-6-7-15(17(19)10-11)13-8-9-16(18)14-5-3-2-4-12(13)14/h2-10H,19H2,1H3
InChIKeyICLVYMKNHVVWLZ-UHFFFAOYSA-N
XLogP5.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.76
LogP ≤ 55.05
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 2-(4-chloronaphthalen-1-yl)-5-methylaniline?
The IUPAC name of 2-(4-chloronaphthalen-1-yl)-5-methylaniline (CID 82766855) is 2-(4-chloronaphthalen-1-yl)-5-methylaniline.
What is the SMILES notation for 2-(4-chloronaphthalen-1-yl)-5-methylaniline?
The canonical SMILES for 2-(4-chloronaphthalen-1-yl)-5-methylaniline is Cc1ccc(-c2ccc(Cl)c3ccccc23)c(N)c1.
What is the InChIKey of 2-(4-chloronaphthalen-1-yl)-5-methylaniline?
The InChIKey is ICLVYMKNHVVWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN/c1-11-6-7-15(17(19)10-11)13-8-9-16(18)14-5-3-2-4-12(13)14/h2-10H,19H2,1H3.
What are the key properties of 2-(4-chloronaphthalen-1-yl)-5-methylaniline?
2-(4-chloronaphthalen-1-yl)-5-methylaniline has a molecular weight of 267.76 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloronaphthalen-1-yl)-5-methylaniline is sourced from PubChem (CID 82766855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).