2-chloro-6-methyl-N-phenylaniline

C13H12ClN — CID 71218066

IUPAC2-chloro-6-methyl-N-phenylaniline
SMILESCc1cccc(Cl)c1Nc1ccccc1
InChIInChI=1S/C13H12ClN/c1-10-6-5-9-12(14)13(10)15-11-7-3-2-4-8-11/h2-9,15H,1H3
InChIKeyNXHYVXRWKQWGCL-UHFFFAOYSA-N
MW217.70 g/mol
LogP4.39
Rot. Bonds2

About 2-chloro-6-methyl-N-phenylaniline

2-chloro-6-methyl-N-phenylaniline (PubChem CID 71218066) has the molecular formula C13H12ClN and a molecular weight of 217.70 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-chloro-6-methyl-N-phenylaniline
PubChem CID71218066
Molecular FormulaC13H12ClN
Molecular Weight217.70 g/mol
Exact Mass217.07
IUPAC Name2-chloro-6-methyl-N-phenylaniline
SMILESCc1cccc(Cl)c1Nc1ccccc1
InChIInChI=1S/C13H12ClN/c1-10-6-5-9-12(14)13(10)15-11-7-3-2-4-8-11/h2-9,15H,1H3
InChIKeyNXHYVXRWKQWGCL-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2,5-Dichlorophenyl)-(2,4,6-trimethylphenyl)-amine
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6-Chloro-1,2-dihydro-2,2,4-trimethylquinoline
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-phenylaniline?
The IUPAC name of 2-chloro-6-methyl-N-phenylaniline (CID 71218066) is 2-chloro-6-methyl-N-phenylaniline.
What is the SMILES notation for 2-chloro-6-methyl-N-phenylaniline?
The canonical SMILES for 2-chloro-6-methyl-N-phenylaniline is Cc1cccc(Cl)c1Nc1ccccc1.
What is the InChIKey of 2-chloro-6-methyl-N-phenylaniline?
The InChIKey is NXHYVXRWKQWGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN/c1-10-6-5-9-12(14)13(10)15-11-7-3-2-4-8-11/h2-9,15H,1H3.
What are the key properties of 2-chloro-6-methyl-N-phenylaniline?
2-chloro-6-methyl-N-phenylaniline has a molecular weight of 217.70 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-phenylaniline is sourced from PubChem (CID 71218066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).