2-amino-2-(3-methoxyphenyl)acetonitrile

C9H10N2O — CID 13352448

IUPAC2-amino-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(C(N)C#N)c1
InChIInChI=1S/C9H10N2O/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9H,11H2,1H3
InChIKeyQWGBIYUMPYRMIB-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-2-(3-methoxyphenyl)acetonitrile

2-amino-2-(3-methoxyphenyl)acetonitrile (PubChem CID 13352448) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-amino-2-(3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(3-methoxyphenyl)acetonitrile
PubChem CID13352448
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-amino-2-(3-methoxyphenyl)acetonitrile
SMILESCOc1cccc(C(N)C#N)c1
InChIInChI=1S/C9H10N2O/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9H,11H2,1H3
InChIKeyQWGBIYUMPYRMIB-UHFFFAOYSA-N
XLogP1.22
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[amino-(3-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946402
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
3,3,3-trifluoro-2-(3-methoxyphenyl)propanenitrile
CID 79560176
2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 10352196
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
3-(dimethylamino)-2-(3-methoxyphenyl)propanenitrile
CID 82076986
2-hydroxy-2-[3-(3-methoxyphenoxy)phenyl]acetonitrile
CID 54380272
(2S)-2-(3-methoxyphenyl)-3-oxobutanenitrile
CID 6928256
hydrazinyl-(3-methoxyphenyl)methanamine
CID 116947521
ethyl 3-cyano-3-(3-methoxyphenyl)-2-oxopropanoate
CID 66490672
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(3-methoxyphenyl)acetonitrile (CID 13352448) is 2-amino-2-(3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(3-methoxyphenyl)acetonitrile is COc1cccc(C(N)C#N)c1.
What is the InChIKey of 2-amino-2-(3-methoxyphenyl)acetonitrile?
The InChIKey is QWGBIYUMPYRMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5,9H,11H2,1H3.
What are the key properties of 2-amino-2-(3-methoxyphenyl)acetonitrile?
2-amino-2-(3-methoxyphenyl)acetonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 13352448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).