4-chloro-2-methylaniline

C7H8ClN — CID 7251

IUPAC4-chloro-2-methylaniline
SMILESCc1cc(Cl)ccc1N
InChIInChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKeyCXNVOWPRHWWCQR-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.23
Rot. Bonds

About 4-chloro-2-methylaniline

4-chloro-2-methylaniline (PubChem CID 7251) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 4-chloro-2-methylaniline.

Molecular Properties

Compound Name4-chloro-2-methylaniline
PubChem CID7251
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name4-chloro-2-methylaniline
SMILESCc1cc(Cl)ccc1N
InChIInChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKeyCXNVOWPRHWWCQR-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 4-chloro-2-methylaniline?
The IUPAC name of 4-chloro-2-methylaniline (CID 7251) is 4-chloro-2-methylaniline.
What is the SMILES notation for 4-chloro-2-methylaniline?
The canonical SMILES for 4-chloro-2-methylaniline is Cc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-methylaniline?
The InChIKey is CXNVOWPRHWWCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3.
What are the key properties of 4-chloro-2-methylaniline?
4-chloro-2-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 4-chloro-2-methylaniline is sourced from PubChem (CID 7251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).