3-amino-2-(2-methoxyphenyl)propanenitrile

C10H12N2O — CID 82503443

IUPAC3-amino-2-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1C(C#N)CN
InChIInChI=1S/C10H12N2O/c1-13-10-5-3-2-4-9(10)8(6-11)7-12/h2-5,8H,6,11H2,1H3
InChIKeyHQSPMRRDHIDICJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.26
Rot. Bonds3

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

3-amino-2-(2-methoxyphenyl)propanenitrile (PubChem CID 82503443) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyphenyl)propanenitrile.

Molecular Properties

Compound Name3-amino-2-(2-methoxyphenyl)propanenitrile
PubChem CID82503443
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-amino-2-(2-methoxyphenyl)propanenitrile
SMILESCOc1ccccc1C(C#N)CN
InChIInChI=1S/C10H12N2O/c1-13-10-5-3-2-4-9(10)8(6-11)7-12/h2-5,8H,6,11H2,1H3
InChIKeyHQSPMRRDHIDICJ-UHFFFAOYSA-N
XLogP1.26
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
CID 82084081
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599
2-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanenitrile
CID 82089920
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
5-(2-fluorophenoxy)-2-(2-methoxyphenyl)pentanenitrile
CID 82137676
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanenitrile
CID 82086146
4-(2,6-dimethylphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137685
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
4-(3-methoxyphenoxy)-2-(2-methoxyphenyl)butanenitrile
CID 82137692

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyphenyl)propanenitrile?
The IUPAC name of 3-amino-2-(2-methoxyphenyl)propanenitrile (CID 82503443) is 3-amino-2-(2-methoxyphenyl)propanenitrile.
What is the SMILES notation for 3-amino-2-(2-methoxyphenyl)propanenitrile?
The canonical SMILES for 3-amino-2-(2-methoxyphenyl)propanenitrile is COc1ccccc1C(C#N)CN.
What is the InChIKey of 3-amino-2-(2-methoxyphenyl)propanenitrile?
The InChIKey is HQSPMRRDHIDICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-13-10-5-3-2-4-9(10)8(6-11)7-12/h2-5,8H,6,11H2,1H3.
What are the key properties of 3-amino-2-(2-methoxyphenyl)propanenitrile?
3-amino-2-(2-methoxyphenyl)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyphenyl)propanenitrile is sourced from PubChem (CID 82503443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).