2-(aminomethyl)-4-methoxybenzonitrile

C9H10N2O — CID 22464511

IUPAC2-(aminomethyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(CN)c1
InChIInChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4H,6,11H2,1H3
InChIKeyFQGOEGLKINIYLE-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds2

About 2-(aminomethyl)-4-methoxybenzonitrile

2-(aminomethyl)-4-methoxybenzonitrile (PubChem CID 22464511) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(aminomethyl)-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(aminomethyl)-4-methoxybenzonitrile
PubChem CID22464511
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(aminomethyl)-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(CN)c1
InChIInChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4H,6,11H2,1H3
InChIKeyFQGOEGLKINIYLE-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethynyl-5-methoxyphenyl)methanamine
CID 130535133
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-(benzenesulfonylmethyl)-4-methoxybenzonitrile
CID 11808311
2-ethynyl-5-methoxybenzonitrile
CID 166529929
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-(1-aminopropan-2-ylamino)-4-methoxybenzonitrile
CID 81304985
4-(aminomethyl)-2-(methoxymethyl)benzonitrile
CID 58079864
2-[(1S)-1-aminopropyl]-4-methoxybenzonitrile
CID 130744260
5-(aminomethyl)-4-bromo-2-methoxybenzonitrile
CID 171014235
4-amino-7-methoxynaphthalene-1-carbonitrile
CID 131535319
2-[(2-bromo-4-methoxyphenoxy)methyl]-4-fluorobenzonitrile
CID 104704645

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-methoxybenzonitrile?
The IUPAC name of 2-(aminomethyl)-4-methoxybenzonitrile (CID 22464511) is 2-(aminomethyl)-4-methoxybenzonitrile.
What is the SMILES notation for 2-(aminomethyl)-4-methoxybenzonitrile?
The canonical SMILES for 2-(aminomethyl)-4-methoxybenzonitrile is COc1ccc(C#N)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-methoxybenzonitrile?
The InChIKey is FQGOEGLKINIYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)8(4-9)6-11/h2-4H,6,11H2,1H3.
What are the key properties of 2-(aminomethyl)-4-methoxybenzonitrile?
2-(aminomethyl)-4-methoxybenzonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-methoxybenzonitrile is sourced from PubChem (CID 22464511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).