(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile

C12H16N2O2 — CID 28764892

IUPAC(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
SMILESN#C[C@@H](c1ccccc1)N(CCO)CCO
InChIInChI=1S/C12H16N2O2/c13-10-12(11-4-2-1-3-5-11)14(6-8-15)7-9-16/h1-5,12,15-16H,6-9H2/t12-/m0/s1
InChIKeyROQXYAMTXGDISW-LBPRGKRZSA-N
MW220.27 g/mol
LogP0.54
Rot. Bonds6

About (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile

(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile (PubChem CID 28764892) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
PubChem CID28764892
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
SMILESN#C[C@@H](c1ccccc1)N(CCO)CCO
InChIInChI=1S/C12H16N2O2/c13-10-12(11-4-2-1-3-5-11)14(6-8-15)7-9-16/h1-5,12,15-16H,6-9H2/t12-/m0/s1
InChIKeyROQXYAMTXGDISW-LBPRGKRZSA-N
XLogP0.54
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757845
2-[ethyl(2-hydroxyethyl)amino]-2-(4-nitrophenyl)acetonitrile
CID 84757401
(2S)-2-[benzhydryl(hydroxy)amino]-2-phenylacetonitrile
CID 134948411
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
2-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-2-phenylacetonitrile
CID 10333884
2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757581
3-hydroxy-2-phenylpropanenitrile
CID 11008065
2-[[bis(2-hydroxyethyl)amino]-phenylmethyl]propanedioic acid
CID 54452886
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
N-[cyano(phenyl)methyl]-N-methylmethanesulfonamide
CID 82114950
2-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile?
The IUPAC name of (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile (CID 28764892) is (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile.
What is the SMILES notation for (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile?
The canonical SMILES for (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile is N#C[C@@H](c1ccccc1)N(CCO)CCO.
What is the InChIKey of (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile?
The InChIKey is ROQXYAMTXGDISW-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-12(11-4-2-1-3-5-11)14(6-8-15)7-9-16/h1-5,12,15-16H,6-9H2/t12-/m0/s1.
What are the key properties of (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile?
(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile has a molecular weight of 220.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile is sourced from PubChem (CID 28764892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).