1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

C14H18N2O2 — CID 116958008

IUPAC1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(OC)cc1OC)C1(C#N)CC1
InChIInChI=1S/C14H18N2O2/c1-16-13(14(9-15)6-7-14)11-5-4-10(17-2)8-12(11)18-3/h4-5,8,13,16H,6-7H2,1-3H3
InChIKeyZGWHJNQXVWGWDU-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.27
Rot. Bonds5

About 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 116958008) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID116958008
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCNC(c1ccc(OC)cc1OC)C1(C#N)CC1
InChIInChI=1S/C14H18N2O2/c1-16-13(14(9-15)6-7-14)11-5-4-10(17-2)8-12(11)18-3/h4-5,8,13,16H,6-7H2,1-3H3
InChIKeyZGWHJNQXVWGWDU-UHFFFAOYSA-N
XLogP2.27
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116957991
1-[(2,4-dimethoxyphenyl)-hydroxymethyl]cyclohexane-1-carbonitrile
CID 79136305
1-[(2,4-difluorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958028
1-[3-(aminomethyl)oxetan-3-yl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116959584
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
2-(2,4-dimethoxyphenyl)-N,4-dimethylpentan-3-amine
CID 79298936
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (CID 116958008) is 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is CNC(c1ccc(OC)cc1OC)C1(C#N)CC1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is ZGWHJNQXVWGWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-13(14(9-15)6-7-14)11-5-4-10(17-2)8-12(11)18-3/h4-5,8,13,16H,6-7H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116958008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).