2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile

C12H15ClN2O — CID 82019870

IUPAC2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
SMILESCC(C)(CO)NC(C#N)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2,8-16)15-11(7-14)9-5-3-4-6-10(9)13/h3-6,11,15-16H,8H2,1-2H3
InChIKeyGYXVPGOUKIHQHW-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile

2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile (PubChem CID 82019870) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
PubChem CID82019870
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
SMILESCC(C)(CO)NC(C#N)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2,8-16)15-11(7-14)9-5-3-4-6-10(9)13/h3-6,11,15-16H,8H2,1-2H3
InChIKeyGYXVPGOUKIHQHW-UHFFFAOYSA-N
XLogP2.27
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(ethylamino)acetonitrile
CID 25213809
N-[(R)-(2-chlorophenyl)-cyanomethyl]-2-(4-hydroxyphenyl)acetamide
CID 99818947
4-[[(2-chlorophenyl)-cyanomethyl]amino]-4-oxobutanoic acid
CID 70211689
N-[(R)-(2-chlorophenyl)-cyanomethyl]cyclopentanecarboxamide
CID 124606737
4-[[(2-chlorophenyl)-cyanomethyl]amino]benzoic acid
CID 139219939
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
N-[(R)-(2-chlorophenyl)-cyanomethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97219891
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-fluoro-6-methylsulfanylbenzamide
CID 129433395
N-[(S)-cyano-(2,3-dichlorophenyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 124593522
2-(2-chlorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886838
N-[(S)-(2-chlorophenyl)-cyanomethyl]-6-fluoropyridine-3-carboxamide
CID 96568893
(Z)-3-(2-chlorophenyl)-N-[cyano-(2,4-difluorophenyl)methyl]but-2-enamide
CID 86904225

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The IUPAC name of 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile (CID 82019870) is 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile is CC(C)(CO)NC(C#N)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
The InChIKey is GYXVPGOUKIHQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2,8-16)15-11(7-14)9-5-3-4-6-10(9)13/h3-6,11,15-16H,8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile?
2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile has a molecular weight of 238.72 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile is sourced from PubChem (CID 82019870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).