2-chloro-N-phenylaniline

C12H10ClN — CID 6425221

IUPAC2-chloro-N-phenylaniline
SMILESClc1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10ClN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKeyCASDLXCHUTYPAO-UHFFFAOYSA-N
MW203.67 g/mol
LogP4.08
Rot. Bonds2

About 2-chloro-N-phenylaniline

2-chloro-N-phenylaniline (PubChem CID 6425221) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-N-phenylaniline
PubChem CID6425221
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name2-chloro-N-phenylaniline
SMILESClc1ccccc1Nc1ccccc1
InChIInChI=1S/C12H10ClN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
InChIKeyCASDLXCHUTYPAO-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenylaniline?
The IUPAC name of 2-chloro-N-phenylaniline (CID 6425221) is 2-chloro-N-phenylaniline.
What is the SMILES notation for 2-chloro-N-phenylaniline?
The canonical SMILES for 2-chloro-N-phenylaniline is Clc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-chloro-N-phenylaniline?
The InChIKey is CASDLXCHUTYPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H.
What are the key properties of 2-chloro-N-phenylaniline?
2-chloro-N-phenylaniline has a molecular weight of 203.67 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenylaniline is sourced from PubChem (CID 6425221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).