2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile

C12H16N2O — CID 63261459

IUPAC2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
SMILESCC(C#N)NC(CO)Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(8-13)14-12(9-15)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7,9H2,1H3
InChIKeyNNXQGAMODLBFID-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.09
Rot. Bonds5

About 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile

2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile (PubChem CID 63261459) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
PubChem CID63261459
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile
SMILESCC(C#N)NC(CO)Cc1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(8-13)14-12(9-15)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7,9H2,1H3
InChIKeyNNXQGAMODLBFID-UHFFFAOYSA-N
XLogP1.09
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
2-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)propanamide
CID 55168822
(2S)-2-(1-hydroxypropan-2-ylamino)-3-phenylpropanenitrile
CID 67860910
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
CID 107861085
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
(2S)-2-[1-(2-chlorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 102613868
2-[1-(4-fluorophenyl)ethylamino]-3-phenylpropan-1-ol
CID 63260594

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile?
The IUPAC name of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile (CID 63261459) is 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile?
The canonical SMILES for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile is CC(C#N)NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile?
The InChIKey is NNXQGAMODLBFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(8-13)14-12(9-15)7-11-5-3-2-4-6-11/h2-6,10,12,14-15H,7,9H2,1H3.
What are the key properties of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile?
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile has a molecular weight of 204.27 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanenitrile is sourced from PubChem (CID 63261459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).