3-ethylimino-1,1-diphenylpropan-1-ol

C17H19NO — CID 162413586

IUPAC3-ethylimino-1,1-diphenylpropan-1-ol
SMILESCC/N=C/CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-18-14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2,13H2,1H3/b18-14+
InChIKeyNDQIRWRZFBJVEO-NBVRZTHBSA-N
MW253.34 g/mol
LogP3.40
Rot. Bonds5

About 3-ethylimino-1,1-diphenylpropan-1-ol

3-ethylimino-1,1-diphenylpropan-1-ol (PubChem CID 162413586) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-ethylimino-1,1-diphenylpropan-1-ol.

Molecular Properties

Compound Name3-ethylimino-1,1-diphenylpropan-1-ol
PubChem CID162413586
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-ethylimino-1,1-diphenylpropan-1-ol
SMILESCC/N=C/CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-2-18-14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2,13H2,1H3/b18-14+
InChIKeyNDQIRWRZFBJVEO-NBVRZTHBSA-N
XLogP3.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-
CID 4945
(E)-4-(dimethylamino)-4-methyl-1,1-diphenylpent-2-en-1-ol
CID 1313004
Benzhydrol, alpha-(2-(dimethylamino)ethyl)-, hydrochloride
CID 201597
4-(Diethylamino)-1,1-diphenylbut-2-yn-1-ol
CID 120497
alpha-(2-(Dimethylamino)ethyl)-alpha-phenylbenzenemethanol
CID 199511
(E)-4-(dimethylamino)-1,1-diphenylbut-2-en-1-ol
CID 802114
4-[Tert-butyl(methyl)amino]-1,1-diphenylbut-2-yn-1-ol
CID 4356242
5-Diethylamino-1,1-diphenyl-pentan-1-ol
CID 4598397
2-Hydroxy-4-(hydroxyimino)-2-phenylpentanal oxime
CID 9571476
3-(Dimethylamino)-2-methyl-1,1-diphenylpropan-1-ol
CID 110988
(2R,3S)-(-)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol
CID 688065
(alphaS)-alpha-((1R)-2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol
CID 688064

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-1,1-diphenylpropan-1-ol?
The IUPAC name of 3-ethylimino-1,1-diphenylpropan-1-ol (CID 162413586) is 3-ethylimino-1,1-diphenylpropan-1-ol.
What is the SMILES notation for 3-ethylimino-1,1-diphenylpropan-1-ol?
The canonical SMILES for 3-ethylimino-1,1-diphenylpropan-1-ol is CC/N=C/CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-ethylimino-1,1-diphenylpropan-1-ol?
The InChIKey is NDQIRWRZFBJVEO-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-18-14-13-17(19,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,19H,2,13H2,1H3/b18-14+.
What are the key properties of 3-ethylimino-1,1-diphenylpropan-1-ol?
3-ethylimino-1,1-diphenylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-1,1-diphenylpropan-1-ol is sourced from PubChem (CID 162413586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).