4-methoxy-N-(2-phenoxyethyl)aniline

C15H17NO2 — CID 39347663

IUPAC4-methoxy-N-(2-phenoxyethyl)aniline
SMILESCOc1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-17-14-9-7-13(8-10-14)16-11-12-18-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyPIUBWPLWXHMUEP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.19
Rot. Bonds6

About 4-methoxy-N-(2-phenoxyethyl)aniline

4-methoxy-N-(2-phenoxyethyl)aniline (PubChem CID 39347663) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-methoxy-N-(2-phenoxyethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(2-phenoxyethyl)aniline
PubChem CID39347663
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-N-(2-phenoxyethyl)aniline
SMILESCOc1ccc(NCCOc2ccccc2)cc1
InChIInChI=1S/C15H17NO2/c1-17-14-9-7-13(8-10-14)16-11-12-18-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3
InChIKeyPIUBWPLWXHMUEP-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(2-phenoxyethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-phenoxyethyl)-4-propoxyaniline
CID 54799062
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
N-[2-(4-methoxyphenoxy)ethyl]-4-methylsulfanylaniline
CID 60681036
3-[2-(4-methoxyanilino)ethoxy]benzoic acid
CID 103234904
N-[2-(4-methoxyphenoxy)ethyl]-3-propan-2-yloxyaniline
CID 54802827
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
4-butoxy-N-[2-(2-methoxyphenoxy)ethyl]aniline
CID 54799245
4-fluoro-3-methoxy-N-(2-phenoxyethyl)aniline
CID 114839538
N-[2-(2-tert-butylphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
CID 54799862

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-phenoxyethyl)aniline?
The IUPAC name of 4-methoxy-N-(2-phenoxyethyl)aniline (CID 39347663) is 4-methoxy-N-(2-phenoxyethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(2-phenoxyethyl)aniline?
The canonical SMILES for 4-methoxy-N-(2-phenoxyethyl)aniline is COc1ccc(NCCOc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-phenoxyethyl)aniline?
The InChIKey is PIUBWPLWXHMUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-17-14-9-7-13(8-10-14)16-11-12-18-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-methoxy-N-(2-phenoxyethyl)aniline?
4-methoxy-N-(2-phenoxyethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-phenoxyethyl)aniline is sourced from PubChem (CID 39347663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).