5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile

C15H20N2O — CID 65343933

IUPAC5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(Cc1ccc(OC)c(C#N)c1)CC1CC1
InChIInChI=1S/C15H20N2O/c1-3-17(10-12-4-5-12)11-13-6-7-15(18-2)14(8-13)9-16/h6-8,12H,3-5,10-11H2,1-2H3
InChIKeyFCGVANABUOPMFZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.80
Rot. Bonds6

About 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile

5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65343933) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65343933
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(Cc1ccc(OC)c(C#N)c1)CC1CC1
InChIInChI=1S/C15H20N2O/c1-3-17(10-12-4-5-12)11-13-6-7-15(18-2)14(8-13)9-16/h6-8,12H,3-5,10-11H2,1-2H3
InChIKeyFCGVANABUOPMFZ-UHFFFAOYSA-N
XLogP2.80
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methoxybenzonitrile
CID 65344165
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
5-[[cyclobutylmethyl(ethyl)amino]methyl]-2-fluorobenzonitrile
CID 114012369
4-[[cyclopropylmethyl(ethyl)amino]methyl]benzonitrile
CID 63957000
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
2-methoxy-5-[[methyl-(4-methylcyclohexyl)amino]methyl]benzonitrile
CID 65343972
4-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 106788894
4-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methoxybenzonitrile
CID 106788101
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
N-(cyclobutylmethyl)-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]ethanamine
CID 107398013
2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637
4-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methoxybenzoic acid
CID 107402347

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile (CID 65343933) is 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile is CCN(Cc1ccc(OC)c(C#N)c1)CC1CC1.
What is the InChIKey of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is FCGVANABUOPMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-17(10-12-4-5-12)11-13-6-7-15(18-2)14(8-13)9-16/h6-8,12H,3-5,10-11H2,1-2H3.
What are the key properties of 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile?
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65343933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).