2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile

C12H16N2O — CID 43802702

IUPAC2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
SMILESCCN(CC)C(C#N)c1cccc(O)c1
InChIInChI=1S/C12H16N2O/c1-3-14(4-2)12(9-13)10-6-5-7-11(15)8-10/h5-8,12,15H,3-4H2,1-2H3
InChIKeyXDPONZHARLGQPL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.30
Rot. Bonds4

About 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile

2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 43802702) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
PubChem CID43802702
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
SMILESCCN(CC)C(C#N)c1cccc(O)c1
InChIInChI=1S/C12H16N2O/c1-3-14(4-2)12(9-13)10-6-5-7-11(15)8-10/h5-8,12,15H,3-4H2,1-2H3
InChIKeyXDPONZHARLGQPL-UHFFFAOYSA-N
XLogP2.30
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757581
2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757845
3-fluoro-2-(3-hydroxyphenyl)propanenitrile
CID 131606676
3-(3-hydroxyphenyl)butanenitrile
CID 77440133
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[[cyano-(3-nitrophenyl)methyl]-ethylamino]propanoic acid
CID 84748432
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
2-(butylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 84816576
2-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]propanedinitrile
CID 10680869

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile (CID 43802702) is 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile is CCN(CC)C(C#N)c1cccc(O)c1.
What is the InChIKey of 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is XDPONZHARLGQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-3-14(4-2)12(9-13)10-6-5-7-11(15)8-10/h5-8,12,15H,3-4H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile?
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 43802702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).