1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

C14H18N2O2 — CID 115242210

IUPAC1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(OC)c(CNCC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2O2/c1-17-12-3-4-13(18-2)11(7-12)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3
InChIKeyYGTSQCFAAWUPCE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.10
Rot. Bonds6

About 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile

1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242210) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242210
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
SMILESCOc1ccc(OC)c(CNCC2(C#N)CC2)c1
InChIInChI=1S/C14H18N2O2/c1-17-12-3-4-13(18-2)11(7-12)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3
InChIKeyYGTSQCFAAWUPCE-UHFFFAOYSA-N
XLogP2.10
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2,5-dimethoxyphenyl)methylamino]methyl]oxetane-3-carbonitrile
CID 115247965
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
1-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242214
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
[1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexyl]methanol
CID 115683825
1-(2,5-dimethoxyphenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80527898
1-[[(2,4,5-trimethylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242262
1-[[2-(3-ethyl-4-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242493
2-[[(2,5-dimethoxyphenyl)methylamino]methyl]-3-methylbutanenitrile
CID 115254449
N-[(2,5-dimethoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 115635129
1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile (CID 115242210) is 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is COc1ccc(OC)c(CNCC2(C#N)CC2)c1.
What is the InChIKey of 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is YGTSQCFAAWUPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-12-3-4-13(18-2)11(7-12)8-16-10-14(9-15)5-6-14/h3-4,7,16H,5-6,8,10H2,1-2H3.
What are the key properties of 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile?
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).