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

C11H14N2O — CID 54089481

IUPAC2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
SMILESCC(C#N)NCC(O)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(7-12)13-8-11(14)10-5-3-2-4-6-10/h2-6,9,11,13-14H,8H2,1H3
InChIKeyMSVQQYWGYVAMQH-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.22
Rot. Bonds4

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

2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile (PubChem CID 54089481) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
PubChem CID54089481
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile
SMILESCC(C#N)NCC(O)c1ccccc1
InChIInChI=1S/C11H14N2O/c1-9(7-12)13-8-11(14)10-5-3-2-4-6-10/h2-6,9,11,13-14H,8H2,1H3
InChIKeyMSVQQYWGYVAMQH-UHFFFAOYSA-N
XLogP1.22
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
2-(3-methylbutan-2-ylamino)-1-phenylethanol
CID 12904820
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
2-[bis(trimethylsilyl)methylamino]-1-phenylethanol
CID 15425393
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825
2-[(2-hydroxyphenyl)methylamino]propanenitrile
CID 114331988
(1R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1-phenylethanol
CID 902475
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
(2R)-2-(benzylamino)propanenitrile
CID 28702462
2-(but-3-yn-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 114416816

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The IUPAC name of 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile (CID 54089481) is 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The canonical SMILES for 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile is CC(C#N)NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile?
The InChIKey is MSVQQYWGYVAMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9(7-12)13-8-11(14)10-5-3-2-4-6-10/h2-6,9,11,13-14H,8H2,1H3.
What are the key properties of 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile?
2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylethyl)amino]propanenitrile is sourced from PubChem (CID 54089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).