5-(aminomethyl)-2-methoxybenzonitrile

C9H10N2O — CID 22744645

IUPAC5-(aminomethyl)-2-methoxybenzonitrile
SMILESCOc1ccc(CN)cc1C#N
InChIInChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5,10H2,1H3
InChIKeyQHAVONPWXPPJTK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds2

About 5-(aminomethyl)-2-methoxybenzonitrile

5-(aminomethyl)-2-methoxybenzonitrile (PubChem CID 22744645) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-(aminomethyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-(aminomethyl)-2-methoxybenzonitrile
PubChem CID22744645
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-(aminomethyl)-2-methoxybenzonitrile
SMILESCOc1ccc(CN)cc1C#N
InChIInChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5,10H2,1H3
InChIKeyQHAVONPWXPPJTK-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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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-methoxybenzonitrile?
The IUPAC name of 5-(aminomethyl)-2-methoxybenzonitrile (CID 22744645) is 5-(aminomethyl)-2-methoxybenzonitrile.
What is the SMILES notation for 5-(aminomethyl)-2-methoxybenzonitrile?
The canonical SMILES for 5-(aminomethyl)-2-methoxybenzonitrile is COc1ccc(CN)cc1C#N.
What is the InChIKey of 5-(aminomethyl)-2-methoxybenzonitrile?
The InChIKey is QHAVONPWXPPJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-12-9-3-2-7(5-10)4-8(9)6-11/h2-4H,5,10H2,1H3.
What are the key properties of 5-(aminomethyl)-2-methoxybenzonitrile?
5-(aminomethyl)-2-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 5-(aminomethyl)-2-methoxybenzonitrile is sourced from PubChem (CID 22744645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).