4-[2-(4-methoxyphenyl)ethyl]aniline

C15H17NO — CID 14555208

IUPAC4-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H17NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,2-3,16H2,1H3
InChIKeyVDAMOOIQBFTFRL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.06
Rot. Bonds4

About 4-[2-(4-methoxyphenyl)ethyl]aniline

4-[2-(4-methoxyphenyl)ethyl]aniline (PubChem CID 14555208) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethyl]aniline.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethyl]aniline
PubChem CID14555208
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[2-(4-methoxyphenyl)ethyl]aniline
SMILESCOc1ccc(CCc2ccc(N)cc2)cc1
InChIInChI=1S/C15H17NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,2-3,16H2,1H3
InChIKeyVDAMOOIQBFTFRL-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-(4-methoxyphenyl)ethyl]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-[2-(4-methoxyphenyl)ethyl]aniline?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethyl]aniline (CID 14555208) is 4-[2-(4-methoxyphenyl)ethyl]aniline.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethyl]aniline?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethyl]aniline is COc1ccc(CCc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethyl]aniline?
The InChIKey is VDAMOOIQBFTFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h4-11H,2-3,16H2,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethyl]aniline?
4-[2-(4-methoxyphenyl)ethyl]aniline has a molecular weight of 227.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethyl]aniline is sourced from PubChem (CID 14555208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).