3-[(2-ethoxyphenyl)methoxy]aniline

C15H17NO2 — CID 54908931

IUPAC3-[(2-ethoxyphenyl)methoxy]aniline
SMILESCCOc1ccccc1COc1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-2-17-15-9-4-3-6-12(15)11-18-14-8-5-7-13(16)10-14/h3-10H,2,11,16H2,1H3
InChIKeySZWYVSWILNJSRT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.25
Rot. Bonds5

About 3-[(2-ethoxyphenyl)methoxy]aniline

3-[(2-ethoxyphenyl)methoxy]aniline (PubChem CID 54908931) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methoxy]aniline
PubChem CID54908931
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[(2-ethoxyphenyl)methoxy]aniline
SMILESCCOc1ccccc1COc1cccc(N)c1
InChIInChI=1S/C15H17NO2/c1-2-17-15-9-4-3-6-12(15)11-18-14-8-5-7-13(16)10-14/h3-10H,2,11,16H2,1H3
InChIKeySZWYVSWILNJSRT-UHFFFAOYSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-ethoxyphenyl)methoxy]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

3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
1-ethyl-3-[(2-methoxyphenyl)methoxy]benzene
CID 60656964
3-[(3-ethoxyphenoxy)methyl]-2-fluoroaniline
CID 107347960
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
1-ethoxy-2-[(3-phenoxyphenyl)methylperoxymethyl]benzene
CID 57058545
(2-ethoxyphenyl)methyl phenyl carbonate
CID 69009806
2-[(3-ethoxyphenoxy)methyl]-4-fluoroaniline
CID 55060895
2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethanamine
CID 58027581
2-[(3-ethoxyphenoxy)methyl]-5-fluoroaniline
CID 64768838

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methoxy]aniline?
The IUPAC name of 3-[(2-ethoxyphenyl)methoxy]aniline (CID 54908931) is 3-[(2-ethoxyphenyl)methoxy]aniline.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methoxy]aniline?
The canonical SMILES for 3-[(2-ethoxyphenyl)methoxy]aniline is CCOc1ccccc1COc1cccc(N)c1.
What is the InChIKey of 3-[(2-ethoxyphenyl)methoxy]aniline?
The InChIKey is SZWYVSWILNJSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-17-15-9-4-3-6-12(15)11-18-14-8-5-7-13(16)10-14/h3-10H,2,11,16H2,1H3.
What are the key properties of 3-[(2-ethoxyphenyl)methoxy]aniline?
3-[(2-ethoxyphenyl)methoxy]aniline has a molecular weight of 243.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methoxy]aniline is sourced from PubChem (CID 54908931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).