4-amino-2-ethyl-5-methylphenol

C9H13NO — CID 105429592

IUPAC4-amino-2-ethyl-5-methylphenol
SMILESCCc1cc(N)c(C)cc1O
InChIInChI=1S/C9H13NO/c1-3-7-5-8(10)6(2)4-9(7)11/h4-5,11H,3,10H2,1-2H3
InChIKeyNUIYDYWTERJGPQ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.85
Rot. Bonds1

About 4-amino-2-ethyl-5-methylphenol

4-amino-2-ethyl-5-methylphenol (PubChem CID 105429592) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-amino-2-ethyl-5-methylphenol.

Molecular Properties

Compound Name4-amino-2-ethyl-5-methylphenol
PubChem CID105429592
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name4-amino-2-ethyl-5-methylphenol
SMILESCCc1cc(N)c(C)cc1O
InChIInChI=1S/C9H13NO/c1-3-7-5-8(10)6(2)4-9(7)11/h4-5,11H,3,10H2,1-2H3
InChIKeyNUIYDYWTERJGPQ-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-2-ethyl-5-methylphenol 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-[[4-[[4-[[4-[(4-ethyl-2,5-dihydroxyphenyl)methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-2,5-dihydroxyphenyl]methyl]-5-methylbenzene-1,4-diol
CID 153496913
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
2-ethyl-4-(1-hydroxyethyl)-5-methylphenol
CID 117278450
2-ethyl-4-(1-hydroxycyclopropyl)-5-methylphenol
CID 117283106
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699
2-amino-5-methyl-4-nonylphenol
CID 139643471
2-(5-ethyl-4-hydroxy-2-methylphenyl)-2-hydroxyacetic acid
CID 117300050
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
5-(aminomethyl)-2,4-dimethylaniline
CID 13465101
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-5-methylphenol?
The IUPAC name of 4-amino-2-ethyl-5-methylphenol (CID 105429592) is 4-amino-2-ethyl-5-methylphenol.
What is the SMILES notation for 4-amino-2-ethyl-5-methylphenol?
The canonical SMILES for 4-amino-2-ethyl-5-methylphenol is CCc1cc(N)c(C)cc1O.
What is the InChIKey of 4-amino-2-ethyl-5-methylphenol?
The InChIKey is NUIYDYWTERJGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-5-8(10)6(2)4-9(7)11/h4-5,11H,3,10H2,1-2H3.
What are the key properties of 4-amino-2-ethyl-5-methylphenol?
4-amino-2-ethyl-5-methylphenol has a molecular weight of 151.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-5-methylphenol is sourced from PubChem (CID 105429592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).