1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile

C16H22N2O — CID 115242577

IUPAC1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1CCN(C)CC1(C#N)CC1
InChIInChI=1S/C16H22N2O/c1-13-4-5-15(19-3)14(10-13)6-9-18(2)12-16(11-17)7-8-16/h4-5,10H,6-9,12H2,1-3H3
InChIKeyGBUGNEYGCMHJLY-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.78
Rot. Bonds6

About 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile

1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242577) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242577
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(C)cc1CCN(C)CC1(C#N)CC1
InChIInChI=1S/C16H22N2O/c1-13-4-5-15(19-3)14(10-13)6-9-18(2)12-16(11-17)7-8-16/h4-5,10H,6-9,12H2,1-3H3
InChIKeyGBUGNEYGCMHJLY-UHFFFAOYSA-N
XLogP2.78
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242579
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
1-[(2-methoxy-5-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 65376622
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
4-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]-3-oxobutanenitrile
CID 117038554
3-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]propane-1-thiol
CID 115225218
3-[(2-methoxy-5-methylphenyl)methyl]oxetane-3-carbonitrile
CID 116929919
1-[[2-(4-methoxyphenyl)ethyl-methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245491
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetonitrile
CID 115131364
3-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanenitrile
CID 115231191
1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242596

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242577) is 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile is COc1ccc(C)cc1CCN(C)CC1(C#N)CC1.
What is the InChIKey of 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GBUGNEYGCMHJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13-4-5-15(19-3)14(10-13)6-9-18(2)12-16(11-17)7-8-16/h4-5,10H,6-9,12H2,1-3H3.
What are the key properties of 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).