2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile

C10H12N2O — CID 82503447

IUPAC2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
SMILESCOc1cccc(CN)c1CC#N
InChIInChI=1S/C10H12N2O/c1-13-10-4-2-3-8(7-12)9(10)5-6-11/h2-4H,5,7,12H2,1H3
InChIKeyFINNAVJYYJUBCP-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.22
Rot. Bonds3

About 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile

2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile (PubChem CID 82503447) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
PubChem CID82503447
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile
SMILESCOc1cccc(CN)c1CC#N
InChIInChI=1S/C10H12N2O/c1-13-10-4-2-3-8(7-12)9(10)5-6-11/h2-4H,5,7,12H2,1H3
InChIKeyFINNAVJYYJUBCP-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(fluoromethyl)-3-methoxyphenyl]acetonitrile
CID 84767792
2-(2-methoxy-6-nitrophenyl)acetonitrile;2-(3-methoxy-2-nitrophenyl)acetonitrile
CID 53447012
(5-methoxynaphthalen-1-yl)methanamine
CID 59401298
azane;dichloroplatinum;2-(2-methoxyphenyl)acetonitrile
CID 87598174
CID 160738129
CID 160738129
2-[3-methoxy-2-(trifluoromethyl)phenyl]acetonitrile
CID 131869127
2-[2-methoxy-3-(2-methylphenoxy)phenyl]acetonitrile
CID 20513415
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
diethyl 2-[2-(cyanomethyl)-6-methoxyphenyl]propanedioate
CID 134918389
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857
2-(8-methoxyquinolin-2-yl)acetonitrile
CID 82241154

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile?
The IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile (CID 82503447) is 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile?
The canonical SMILES for 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile is COc1cccc(CN)c1CC#N.
What is the InChIKey of 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile?
The InChIKey is FINNAVJYYJUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-13-10-4-2-3-8(7-12)9(10)5-6-11/h2-4H,5,7,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile?
2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methoxyphenyl]acetonitrile is sourced from PubChem (CID 82503447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).