3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile

C18H20N2O — CID 66751438

IUPAC3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile
SMILESN#CCCNC(Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H20N2O/c19-12-7-13-20-17(14-15-8-3-1-4-9-15)18(21)16-10-5-2-6-11-16/h1-6,8-11,17-18,20-21H,7,13-14H2/t17?,18-/m1/s1
InChIKeyCODGDZZAKFYJEM-QRWMCTBCSA-N
MW280.37 g/mol
LogP2.83
Rot. Bonds7

About 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile

3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile (PubChem CID 66751438) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile
PubChem CID66751438
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile
SMILESN#CCCNC(Cc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H20N2O/c19-12-7-13-20-17(14-15-8-3-1-4-9-15)18(21)16-10-5-2-6-11-16/h1-6,8-11,17-18,20-21H,7,13-14H2/t17?,18-/m1/s1
InChIKeyCODGDZZAKFYJEM-QRWMCTBCSA-N
XLogP2.83
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R,2S)-2-(2-cyanoethylamino)-1,2-diphenylethyl]amino]propanenitrile
CID 58650644
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
(1R,2S)-2-(diphenylphosphorylamino)-1,3-diphenylpropan-1-ol
CID 23241767
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
(1R)-1,2-diphenylethanol
CID 1379022
3,4-diphenylbutanenitrile
CID 57019380
4-hydroxy-3-(2-hydroxyethylamino)-4-phenylbutanoic acid
CID 82347220
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
N-[(2S,3R)-3-[(S)-hydroxy(phenyl)methyl]-1-phenylpent-4-yn-2-yl]methanesulfonamide
CID 134884064
N-(2-cyanoethyl)-2-(4-phenylbutan-2-ylamino)acetamide
CID 60688303
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile?
The IUPAC name of 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile (CID 66751438) is 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile.
What is the SMILES notation for 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile?
The canonical SMILES for 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile is N#CCCNC(Cc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile?
The InChIKey is CODGDZZAKFYJEM-QRWMCTBCSA-N. The full InChI is InChI=1S/C18H20N2O/c19-12-7-13-20-17(14-15-8-3-1-4-9-15)18(21)16-10-5-2-6-11-16/h1-6,8-11,17-18,20-21H,7,13-14H2/t17?,18-/m1/s1.
What are the key properties of 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile?
3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile has a molecular weight of 280.37 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-hydroxy-1,3-diphenylpropan-2-yl]amino]propanenitrile is sourced from PubChem (CID 66751438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).