4-chloro-2-methoxyaniline

C7H8ClNO — CID 7143

IUPAC4-chloro-2-methoxyaniline
SMILESCOc1cc(Cl)ccc1N
InChIInChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKeyWOXLPNAOCCIZGP-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.93
Rot. Bonds1

About 4-chloro-2-methoxyaniline

4-chloro-2-methoxyaniline (PubChem CID 7143) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 4-chloro-2-methoxyaniline.

Molecular Properties

Compound Name4-chloro-2-methoxyaniline
PubChem CID7143
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name4-chloro-2-methoxyaniline
SMILESCOc1cc(Cl)ccc1N
InChIInChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChIKeyWOXLPNAOCCIZGP-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxyaniline?
The IUPAC name of 4-chloro-2-methoxyaniline (CID 7143) is 4-chloro-2-methoxyaniline.
What is the SMILES notation for 4-chloro-2-methoxyaniline?
The canonical SMILES for 4-chloro-2-methoxyaniline is COc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-methoxyaniline?
The InChIKey is WOXLPNAOCCIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3.
What are the key properties of 4-chloro-2-methoxyaniline?
4-chloro-2-methoxyaniline has a molecular weight of 157.60 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxyaniline is sourced from PubChem (CID 7143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).