2-chloro-3-methylaniline

C7H8ClN — CID 11412438

IUPAC2-chloro-3-methylaniline
SMILESCc1cccc(N)c1Cl
InChIInChI=1S/C7H8ClN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKeyRQRKMXABSUYQBV-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.23
Rot. Bonds

About 2-chloro-3-methylaniline

2-chloro-3-methylaniline (PubChem CID 11412438) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 2-chloro-3-methylaniline.

Molecular Properties

Compound Name2-chloro-3-methylaniline
PubChem CID11412438
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name2-chloro-3-methylaniline
SMILESCc1cccc(N)c1Cl
InChIInChI=1S/C7H8ClN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3
InChIKeyRQRKMXABSUYQBV-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.23
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-chloro-3-methylaniline?
The IUPAC name of 2-chloro-3-methylaniline (CID 11412438) is 2-chloro-3-methylaniline.
What is the SMILES notation for 2-chloro-3-methylaniline?
The canonical SMILES for 2-chloro-3-methylaniline is Cc1cccc(N)c1Cl.
What is the InChIKey of 2-chloro-3-methylaniline?
The InChIKey is RQRKMXABSUYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3.
What are the key properties of 2-chloro-3-methylaniline?
2-chloro-3-methylaniline has a molecular weight of 141.60 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylaniline is sourced from PubChem (CID 11412438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).