4-(4-chlorophenyl)-3-(methoxymethyl)aniline

C14H14ClNO — CID 59165672

IUPAC4-(4-chlorophenyl)-3-(methoxymethyl)aniline
SMILESCOCc1cc(N)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-17-9-11-8-13(16)6-7-14(11)10-2-4-12(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyVWCWYZUJSJYNAL-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.74
Rot. Bonds3

About 4-(4-chlorophenyl)-3-(methoxymethyl)aniline

4-(4-chlorophenyl)-3-(methoxymethyl)aniline (PubChem CID 59165672) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound Name4-(4-chlorophenyl)-3-(methoxymethyl)aniline
PubChem CID59165672
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name4-(4-chlorophenyl)-3-(methoxymethyl)aniline
SMILESCOCc1cc(N)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNO/c1-17-9-11-8-13(16)6-7-14(11)10-2-4-12(15)5-3-10/h2-8H,9,16H2,1H3
InChIKeyVWCWYZUJSJYNAL-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-chlorophenyl)-3-(methoxymethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-3-(methoxymethyl)aniline?
The IUPAC name of 4-(4-chlorophenyl)-3-(methoxymethyl)aniline (CID 59165672) is 4-(4-chlorophenyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for 4-(4-chlorophenyl)-3-(methoxymethyl)aniline?
The canonical SMILES for 4-(4-chlorophenyl)-3-(methoxymethyl)aniline is COCc1cc(N)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-3-(methoxymethyl)aniline?
The InChIKey is VWCWYZUJSJYNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-17-9-11-8-13(16)6-7-14(11)10-2-4-12(15)5-3-10/h2-8H,9,16H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-3-(methoxymethyl)aniline?
4-(4-chlorophenyl)-3-(methoxymethyl)aniline has a molecular weight of 247.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 59165672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).