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'}

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Related Compounds

4-(2,6-diethylphenyl)phenol
CID 21281287
1-ethyl-3-[(1E,5E)-6-(3-ethyl-2-phenylphenyl)hexa-1,5-dien-3-ynyl]-2-phenylbenzene
CID 173308927
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
CID 175280836
carbonic acid;1,2-diethylbenzene
CID 89388803
azanium (3-ethyl-2-phenylphenyl) sulfate
CID 158190148
benzene;2-ethylphenol
CID 159726745
(2,4-diethyl-3-phenylphenyl)methanamine
CID 174539213
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1,3-dibutyl-2-phenylbenzene
CID 15421912
1,2-diethyl-3,4,5,6-tetraphenylbenzene
CID 58012801
2-(2-ethyl-3-phenyl-1-benzofuran-7-yl)acetic acid
CID 3016357

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).