3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile

C14H18N2O — CID 55135554

IUPAC3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
SMILESN#CCCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O/c15-9-4-10-16(13-7-8-13)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-8,10-11H2
InChIKeyPIYGAOHJTUOCLU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.10
Rot. Bonds6

About 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile

3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile (PubChem CID 55135554) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
PubChem CID55135554
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
SMILESN#CCCN(CC(O)c1ccccc1)C1CC1
InChIInChI=1S/C14H18N2O/c15-9-4-10-16(13-7-8-13)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-8,10-11H2
InChIKeyPIYGAOHJTUOCLU-UHFFFAOYSA-N
XLogP2.10
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
3-[(3-bromo-2-hydroxypropyl)-cyclopropylamino]propanenitrile
CID 112561465
2-[2-cyanoethyl(cyclopropyl)amino]-N-phenylacetamide
CID 54982622
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
CID 61231963
2-[cyclopentyl-(2-hydroxy-2-phenylethyl)amino]acetamide
CID 47284555
2-(dicyclohexylamino)-1-phenylethanol
CID 10946557
3-[N-cyclopropyl-2-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940577
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The IUPAC name of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile (CID 55135554) is 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The canonical SMILES for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile is N#CCCN(CC(O)c1ccccc1)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The InChIKey is PIYGAOHJTUOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c15-9-4-10-16(13-7-8-13)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-8,10-11H2.
What are the key properties of 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile?
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile has a molecular weight of 230.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile is sourced from PubChem (CID 55135554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).