4-(aminomethyl)-3-methoxybenzonitrile

C9H10N2O — CID 18424090

IUPAC4-(aminomethyl)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1CN
InChIInChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,6,11H2,1H3
InChIKeyJNJAPMLMOXTHJP-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds2

About 4-(aminomethyl)-3-methoxybenzonitrile

4-(aminomethyl)-3-methoxybenzonitrile (PubChem CID 18424090) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-(aminomethyl)-3-methoxybenzonitrile
PubChem CID18424090
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-(aminomethyl)-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1CN
InChIInChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,6,11H2,1H3
InChIKeyJNJAPMLMOXTHJP-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

4-(aminomethyl)-3-methoxybenzonitrile;hydrochloride
CID 18424089
4-(aminomethyl)-3-ethoxybenzonitrile;hydrochloride
CID 22476066
4-(aminomethyl)-3-(trifluoromethoxy)benzonitrile
CID 46912351
3-methoxy-4-(nitrosomethyl)benzonitrile
CID 91455462
3-methoxy-4-(2-oxoethyl)benzonitrile
CID 77230687
3-[3-(aminomethyl)-4-methoxyphenyl]-4-methoxybenzonitrile
CID 106951075
3-methoxy-4-(3-oxobutyl)benzonitrile
CID 139369658
3-methoxy-4-sulfanylbenzonitrile
CID 4713200
(4-iodo-2-methoxyphenyl)methanamine
CID 91883504
4-(aminomethyl)-3-bromobenzonitrile
CID 82673286
(4-cyano-2-methoxyphenyl)borinic acid
CID 144769726
4-hydrazinyl-3-methoxybenzonitrile
CID 53404328

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methoxybenzonitrile?
The IUPAC name of 4-(aminomethyl)-3-methoxybenzonitrile (CID 18424090) is 4-(aminomethyl)-3-methoxybenzonitrile.
What is the SMILES notation for 4-(aminomethyl)-3-methoxybenzonitrile?
The canonical SMILES for 4-(aminomethyl)-3-methoxybenzonitrile is COc1cc(C#N)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methoxybenzonitrile?
The InChIKey is JNJAPMLMOXTHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4H,6,11H2,1H3.
What are the key properties of 4-(aminomethyl)-3-methoxybenzonitrile?
4-(aminomethyl)-3-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 4-(aminomethyl)-3-methoxybenzonitrile is sourced from PubChem (CID 18424090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).