3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol

C17H22N2O — CID 107733807

IUPAC3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol
SMILESCCN(CCc1ccccc1N)c1cc(O)ccc1C
InChIInChI=1S/C17H22N2O/c1-3-19(17-12-15(20)9-8-13(17)2)11-10-14-6-4-5-7-16(14)18/h4-9,12,20H,3,10-11,18H2,1-2H3
InChIKeyCBYZCPJWTOCGDZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.35
Rot. Bonds5

About 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol

3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol (PubChem CID 107733807) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol.

Molecular Properties

Compound Name3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol
PubChem CID107733807
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol
SMILESCCN(CCc1ccccc1N)c1cc(O)ccc1C
InChIInChI=1S/C17H22N2O/c1-3-19(17-12-15(20)9-8-13(17)2)11-10-14-6-4-5-7-16(14)18/h4-9,12,20H,3,10-11,18H2,1-2H3
InChIKeyCBYZCPJWTOCGDZ-UHFFFAOYSA-N
XLogP3.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-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

3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
CID 107733931
(N-ethyl-5-hydroxy-2-methylanilino)methyl-trifluoroboranuide
CID 107737617
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 28740208
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[ethyl(hydroxy)amino]-4-methylphenol
CID 174961453
2-amino-5-bromo-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107736855
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
3-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]furan-2-carboxylic acid
CID 107736634
(E)-4-(N-ethyl-5-hydroxy-2-methylanilino)but-2-enoic acid
CID 107736669
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
4-[(N-ethyl-5-hydroxy-2-methylanilino)methyl]benzoic acid
CID 107736656

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol?
The IUPAC name of 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol (CID 107733807) is 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol.
What is the SMILES notation for 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol?
The canonical SMILES for 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol is CCN(CCc1ccccc1N)c1cc(O)ccc1C.
What is the InChIKey of 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol?
The InChIKey is CBYZCPJWTOCGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-19(17-12-15(20)9-8-13(17)2)11-10-14-6-4-5-7-16(14)18/h4-9,12,20H,3,10-11,18H2,1-2H3.
What are the key properties of 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol?
3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol has a molecular weight of 270.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminophenyl)ethyl-ethylamino]-4-methylphenol is sourced from PubChem (CID 107733807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).