1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol

C16H18ClNO2 — CID 3273693

IUPAC1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NCCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c1-20-15-8-6-14(7-9-15)18-11-10-16(19)12-2-4-13(17)5-3-12/h2-9,16,18-19H,10-11H2,1H3
InChIKeyBJXLDKJEHCTORC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.88
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol

1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol (PubChem CID 3273693) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol
PubChem CID3273693
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol
SMILESCOc1ccc(NCCC(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2/c1-20-15-8-6-14(7-9-15)18-11-10-16(19)12-2-4-13(17)5-3-12/h2-9,16,18-19H,10-11H2,1H3
InChIKeyBJXLDKJEHCTORC-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol 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 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol (CID 3273693) is 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol is COc1ccc(NCCC(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol?
The InChIKey is BJXLDKJEHCTORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-20-15-8-6-14(7-9-15)18-11-10-16(19)12-2-4-13(17)5-3-12/h2-9,16,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol?
1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methoxyanilino)propan-1-ol is sourced from PubChem (CID 3273693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).