2-(3-ethoxyphenyl)aniline

C14H15NO — CID 57482711

IUPAC2-(3-ethoxyphenyl)aniline
SMILESCCOc1cccc(-c2ccccc2N)c1
InChIInChI=1S/C14H15NO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2,15H2,1H3
InChIKeyNMHSPDYFMLCXQP-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.33
Rot. Bonds3

About 2-(3-ethoxyphenyl)aniline

2-(3-ethoxyphenyl)aniline (PubChem CID 57482711) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)aniline.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)aniline
PubChem CID57482711
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-(3-ethoxyphenyl)aniline
SMILESCCOc1cccc(-c2ccccc2N)c1
InChIInChI=1S/C14H15NO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2,15H2,1H3
InChIKeyNMHSPDYFMLCXQP-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethoxyphenyl)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

2-[3-[3-(2-aminophenyl)phenoxy]phenyl]aniline
CID 66972301
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)-6-fluoroaniline
CID 107602864
1-ethenyl-2-(3-ethoxyphenyl)benzene
CID 151818646
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
3-(3-ethoxyphenyl)-1H-pyridin-2-one
CID 53217766
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
3-(3-ethoxyphenyl)-1-methyl-5-phenylpyridin-4-one
CID 12879399
3-bromo-5-(3-ethoxyphenyl)aniline
CID 170984455
2,5-dichloro-4-(3-ethoxyphenyl)phenol
CID 107663392

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)aniline?
The IUPAC name of 2-(3-ethoxyphenyl)aniline (CID 57482711) is 2-(3-ethoxyphenyl)aniline.
What is the SMILES notation for 2-(3-ethoxyphenyl)aniline?
The canonical SMILES for 2-(3-ethoxyphenyl)aniline is CCOc1cccc(-c2ccccc2N)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)aniline?
The InChIKey is NMHSPDYFMLCXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-16-12-7-5-6-11(10-12)13-8-3-4-9-14(13)15/h3-10H,2,15H2,1H3.
What are the key properties of 2-(3-ethoxyphenyl)aniline?
2-(3-ethoxyphenyl)aniline has a molecular weight of 213.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)aniline is sourced from PubChem (CID 57482711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).