2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol

C23H21NO — CID 101260861

IUPAC2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
SMILESOCC(NC(C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c25-18-23(21-14-8-3-9-15-21)24-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15,22-25H,18H2
InChIKeyZKDDICGGBXEWES-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.10
Rot. Bonds5

About 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol

2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol (PubChem CID 101260861) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol.

Molecular Properties

Compound Name2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
PubChem CID101260861
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
SMILESOCC(NC(C#Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO/c25-18-23(21-14-8-3-9-15-21)24-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15,22-25H,18H2
InChIKeyZKDDICGGBXEWES-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
2-(hydroxyamino)-2-phenylethanol
CID 12782000
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]butane-1,4-diol
CID 15449405
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2R)-2-phenyl-2-[[(1S)-1-pyridin-3-yloct-2-ynyl]amino]ethanol
CID 10567884
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol?
The IUPAC name of 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol (CID 101260861) is 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol.
What is the SMILES notation for 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol?
The canonical SMILES for 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol is OCC(NC(C#Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol?
The InChIKey is ZKDDICGGBXEWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-18-23(21-14-8-3-9-15-21)24-22(20-12-6-2-7-13-20)17-16-19-10-4-1-5-11-19/h1-15,22-25H,18H2.
What are the key properties of 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol?
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol has a molecular weight of 327.43 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol is sourced from PubChem (CID 101260861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).