3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile

C15H22N2O — CID 64537660

IUPAC3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
SMILESCCCCN(CCO)CC(C#N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-17(10-11-18)13-15(12-16)14-7-5-4-6-8-14/h4-8,15,18H,2-3,9-11,13H2,1H3
InChIKeyNWHVWVPJPHBBCU-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.39
Rot. Bonds8

About 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile

3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile (PubChem CID 64537660) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
PubChem CID64537660
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
SMILESCCCCN(CCO)CC(C#N)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-17(10-11-18)13-15(12-16)14-7-5-4-6-8-14/h4-8,15,18H,2-3,9-11,13H2,1H3
InChIKeyNWHVWVPJPHBBCU-UHFFFAOYSA-N
XLogP2.39
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
CID 64536346
N-butyl-3-cyano-N-methyl-3-phenylpropanamide
CID 112511367
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
ethane;2-phenylbutanenitrile
CID 91343198
2-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-propylamino]ethanol
CID 62618086
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
CID 64538564
3-hydroxy-2-phenylpropanenitrile
CID 11008065
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
(1R)-2-[butyl(2-hydroxyethyl)amino]-1-(4-fluorophenyl)ethanol
CID 95170921
2-[(2-chloro-2-phenylethyl)-(2-hydroxyethyl)amino]ethanol
CID 82214215
2-[(3-amino-2-methyl-3-phenylpropyl)-(2-hydroxyethyl)amino]ethanol
CID 62619271

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile (CID 64537660) is 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile is CCCCN(CCO)CC(C#N)c1ccccc1.
What is the InChIKey of 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile?
The InChIKey is NWHVWVPJPHBBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-9-17(10-11-18)13-15(12-16)14-7-5-4-6-8-14/h4-8,15,18H,2-3,9-11,13H2,1H3.
What are the key properties of 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile?
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile has a molecular weight of 246.35 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 64537660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).