2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol

C19H23NO — CID 67671911

IUPAC2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
SMILESC=CCC(Cc1ccccc1)N(CCO)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-9-19(16-17-10-5-3-6-11-17)20(14-15-21)18-12-7-4-8-13-18/h2-8,10-13,19,21H,1,9,14-16H2
InChIKeyFGGSVNVQBCVORY-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.67
Rot. Bonds8

About 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol

2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol (PubChem CID 67671911) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
PubChem CID67671911
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol
SMILESC=CCC(Cc1ccccc1)N(CCO)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-9-19(16-17-10-5-3-6-11-17)20(14-15-21)18-12-7-4-8-13-18/h2-8,10-13,19,21H,1,9,14-16H2
InChIKeyFGGSVNVQBCVORY-UHFFFAOYSA-N
XLogP3.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
2-(N-(3-methyl-1-phenylbutan-2-yl)anilino)ethanol
CID 67672789
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(2R)-1-phenylpent-4-en-2-ol
CID 11309688
4-[2-hydroxyethyl(1-phenylpropan-2-yl)amino]benzene-1,2-diol
CID 67671907
[(2R)-2-methylpent-4-enyl]benzene
CID 163762006
N-hept-1-en-4-yl-N-phenylhydroxylamine
CID 134935898
(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
(2S)-2-(N-ethylanilino)pent-4-enoic acid
CID 67199848
1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156

Frequently Asked Questions

What is the IUPAC name of 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol?
The IUPAC name of 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol (CID 67671911) is 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol.
What is the SMILES notation for 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol?
The canonical SMILES for 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol is C=CCC(Cc1ccccc1)N(CCO)c1ccccc1.
What is the InChIKey of 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol?
The InChIKey is FGGSVNVQBCVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-9-19(16-17-10-5-3-6-11-17)20(14-15-21)18-12-7-4-8-13-18/h2-8,10-13,19,21H,1,9,14-16H2.
What are the key properties of 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol?
2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(1-phenylpent-4-en-2-yl)anilino]ethanol is sourced from PubChem (CID 67671911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).