3-ethyl-N,N-dihydroxy-2-phenylaniline

C14H15NO2 — CID 150995923

IUPAC3-ethyl-N,N-dihydroxy-2-phenylaniline
SMILESCCc1cccc(N(O)O)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-11-9-6-10-13(15(16)17)14(11)12-7-4-3-5-8-12/h3-10,16-17H,2H2,1H3
InChIKeyLTCAWDGGNTWFBY-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.50
Rot. Bonds3

About 3-ethyl-N,N-dihydroxy-2-phenylaniline

3-ethyl-N,N-dihydroxy-2-phenylaniline (PubChem CID 150995923) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethyl-N,N-dihydroxy-2-phenylaniline.

Molecular Properties

Compound Name3-ethyl-N,N-dihydroxy-2-phenylaniline
PubChem CID150995923
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-ethyl-N,N-dihydroxy-2-phenylaniline
SMILESCCc1cccc(N(O)O)c1-c1ccccc1
InChIInChI=1S/C14H15NO2/c1-2-11-9-6-10-13(15(16)17)14(11)12-7-4-3-5-8-12/h3-10,16-17H,2H2,1H3
InChIKeyLTCAWDGGNTWFBY-UHFFFAOYSA-N
XLogP3.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-ethyl-N,N-dihydroxy-2-phenylaniline 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

4-Nitro-1,1'-biphenyl
CID 7114
1-Nitronaphthalene
CID 6849
4-Nitro-o-xylene
CID 7440
2,3-Dimethylaniline
CID 6893
1,5-Dinitronaphthalene
CID 11803
2-Nitrobiphenyl
CID 6829
2,2'-Dinitrobibenzyl
CID 28168
1,2-Dimethyl-3-nitrobenzene
CID 6739
2-Methyl-1-nitronaphthalene
CID 13432
N-hydroxy-1-naphthalenamine
CID 11828
(R)-6,6'-Dimethyl-1,1'-biphenyl-2,2'-diyldiamine
CID 882241
N-hydroxy-4-aminobiphenyl
CID 81261

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,N-dihydroxy-2-phenylaniline?
The IUPAC name of 3-ethyl-N,N-dihydroxy-2-phenylaniline (CID 150995923) is 3-ethyl-N,N-dihydroxy-2-phenylaniline.
What is the SMILES notation for 3-ethyl-N,N-dihydroxy-2-phenylaniline?
The canonical SMILES for 3-ethyl-N,N-dihydroxy-2-phenylaniline is CCc1cccc(N(O)O)c1-c1ccccc1.
What is the InChIKey of 3-ethyl-N,N-dihydroxy-2-phenylaniline?
The InChIKey is LTCAWDGGNTWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-11-9-6-10-13(15(16)17)14(11)12-7-4-3-5-8-12/h3-10,16-17H,2H2,1H3.
What are the key properties of 3-ethyl-N,N-dihydroxy-2-phenylaniline?
3-ethyl-N,N-dihydroxy-2-phenylaniline has a molecular weight of 229.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,N-dihydroxy-2-phenylaniline is sourced from PubChem (CID 150995923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).