2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile

C17H18N2O2 — CID 84757845

IUPAC2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(c1cccc(O)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c18-12-17(15-7-4-8-16(21)11-15)19(9-10-20)13-14-5-2-1-3-6-14/h1-8,11,17,20-21H,9-10,13H2
InChIKeyKZMGXDWNWBNYMI-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.45
Rot. Bonds6

About 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile

2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 84757845) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
PubChem CID84757845
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(c1cccc(O)c1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H18N2O2/c18-12-17(15-7-4-8-16(21)11-15)19(9-10-20)13-14-5-2-1-3-6-14/h1-8,11,17,20-21H,9-10,13H2
InChIKeyKZMGXDWNWBNYMI-UHFFFAOYSA-N
XLogP2.45
TPSA67.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[bis(2-hydroxyethyl)amino]-2-phenylacetonitrile
CID 28764892
2-[2-hydroxyethyl(methyl)amino]-2-(3-hydroxyphenyl)acetonitrile
CID 84757581
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
2-[benzyl(2-hydroxyethyl)amino]butanenitrile
CID 62115822
3-[1-[2-aminoethyl(benzyl)amino]ethyl]phenol
CID 106511324
2-[(2-amino-1-phenylpropyl)-benzylamino]ethanol
CID 62116164
2-[benzyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749245
(3R)-3-(dibenzylamino)-5-hydroxypentanenitrile
CID 10469724
3-fluoro-2-(3-hydroxyphenyl)propanenitrile
CID 131606676
2-(1,3-benzodioxol-5-yl)-2-[benzyl(ethyl)amino]acetonitrile
CID 82027149
2-[3-[[benzyl(propan-2-yl)amino]methyl]phenyl]acetonitrile
CID 82135626
2-[benzyl(2-hydroxyethyl)amino]propanoic acid
CID 62115110

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile (CID 84757845) is 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile is N#CC(c1cccc(O)c1)N(CCO)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is KZMGXDWNWBNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-12-17(15-7-4-8-16(21)11-15)19(9-10-20)13-14-5-2-1-3-6-14/h1-8,11,17,20-21H,9-10,13H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile?
2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84757845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).