2-(2-chloro-3-methylphenyl)-5-methylaniline

C14H14ClN — CID 171393531

IUPAC2-(2-chloro-3-methylphenyl)-5-methylaniline
SMILESCc1ccc(-c2cccc(C)c2Cl)c(N)c1
InChIInChI=1S/C14H14ClN/c1-9-6-7-11(13(16)8-9)12-5-3-4-10(2)14(12)15/h3-8H,16H2,1-2H3
InChIKeyVBCAGSDBJCUBLY-UHFFFAOYSA-N
MW231.73 g/mol
LogP4.21
Rot. Bonds1

About 2-(2-chloro-3-methylphenyl)-5-methylaniline

2-(2-chloro-3-methylphenyl)-5-methylaniline (PubChem CID 171393531) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is 2-(2-chloro-3-methylphenyl)-5-methylaniline.

Molecular Properties

Compound Name2-(2-chloro-3-methylphenyl)-5-methylaniline
PubChem CID171393531
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name2-(2-chloro-3-methylphenyl)-5-methylaniline
SMILESCc1ccc(-c2cccc(C)c2Cl)c(N)c1
InChIInChI=1S/C14H14ClN/c1-9-6-7-11(13(16)8-9)12-5-3-4-10(2)14(12)15/h3-8H,16H2,1-2H3
InChIKeyVBCAGSDBJCUBLY-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 54.21
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-(2-chloro-3-methylphenyl)-5-methylaniline?
The IUPAC name of 2-(2-chloro-3-methylphenyl)-5-methylaniline (CID 171393531) is 2-(2-chloro-3-methylphenyl)-5-methylaniline.
What is the SMILES notation for 2-(2-chloro-3-methylphenyl)-5-methylaniline?
The canonical SMILES for 2-(2-chloro-3-methylphenyl)-5-methylaniline is Cc1ccc(-c2cccc(C)c2Cl)c(N)c1.
What is the InChIKey of 2-(2-chloro-3-methylphenyl)-5-methylaniline?
The InChIKey is VBCAGSDBJCUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-9-6-7-11(13(16)8-9)12-5-3-4-10(2)14(12)15/h3-8H,16H2,1-2H3.
What are the key properties of 2-(2-chloro-3-methylphenyl)-5-methylaniline?
2-(2-chloro-3-methylphenyl)-5-methylaniline has a molecular weight of 231.73 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-methylphenyl)-5-methylaniline is sourced from PubChem (CID 171393531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).