5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile

C13H16N2O — CID 65344253

IUPAC5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN(C)C2CC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-15(12-4-5-12)9-10-3-6-13(16-2)11(7-10)8-14/h3,6-7,12H,4-5,9H2,1-2H3
InChIKeyFPJGAWQITJJDCQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.16
Rot. Bonds4

About 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile

5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65344253) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65344253
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CN(C)C2CC2)cc1C#N
InChIInChI=1S/C13H16N2O/c1-15(12-4-5-12)9-10-3-6-13(16-2)11(7-10)8-14/h3,6-7,12H,4-5,9H2,1-2H3
InChIKeyFPJGAWQITJJDCQ-UHFFFAOYSA-N
XLogP2.16
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
CID 65343972
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
CID 106788101
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
5-[2-(dimethylamino)ethyl]-2-methoxybenzonitrile
CID 117292810
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
CID 103699184
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339207
2-methoxy-5-[[methyl(2-methylbutyl)amino]methyl]benzonitrile
CID 65344446
4-[[butyl(cyclopropyl)amino]methyl]-2-methoxybenzonitrile
CID 106788095
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149526

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile (CID 65344253) is 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile is COc1ccc(CN(C)C2CC2)cc1C#N.
What is the InChIKey of 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is FPJGAWQITJJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15(12-4-5-12)9-10-3-6-13(16-2)11(7-10)8-14/h3,6-7,12H,4-5,9H2,1-2H3.
What are the key properties of 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile?
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 216.28 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65344253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).