2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile

C16H16N2O2 — CID 84817126

IUPAC2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
SMILESCOc1ccccc1CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-20-16-5-3-2-4-13(16)11-18-15(10-17)12-6-8-14(19)9-7-12/h2-9,15,18-19H,11H2,1H3
InChIKeyJLZWICVKMBSQOI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds5

About 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile

2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile (PubChem CID 84817126) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
PubChem CID84817126
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile
SMILESCOc1ccccc1CNC(C#N)c1ccc(O)cc1
InChIInChI=1S/C16H16N2O2/c1-20-16-5-3-2-4-13(16)11-18-15(10-17)12-6-8-14(19)9-7-12/h2-9,15,18-19H,11H2,1H3
InChIKeyJLZWICVKMBSQOI-UHFFFAOYSA-N
XLogP2.76
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
CID 82019858
4-[1-[(2-methoxyphenyl)methylamino]ethyl]benzonitrile
CID 43191524
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[[(2-methoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254514
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 61005792
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
2-[1-[(2-methoxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 107710311
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
1-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78950239
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
2-[(2-fluorophenyl)methylamino]-2-(3-methoxyphenyl)acetonitrile
CID 82019839
4-[1-hydroxy-2-[3-(2-methoxyphenyl)propylamino]propyl]phenol
CID 110185141

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile?
The IUPAC name of 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile (CID 84817126) is 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile is COc1ccccc1CNC(C#N)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile?
The InChIKey is JLZWICVKMBSQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-20-16-5-3-2-4-13(16)11-18-15(10-17)12-6-8-14(19)9-7-12/h2-9,15,18-19H,11H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile?
2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetonitrile is sourced from PubChem (CID 84817126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).