1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

C15H20N2O — CID 116958024

IUPAC1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCCOc1ccc(C(NC)C2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-4-18-13-6-5-12(9-11(13)2)14(17-3)15(10-16)7-8-15/h5-6,9,14,17H,4,7-8H2,1-3H3
InChIKeyVUBYMGAPBLNEAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.96
Rot. Bonds5

About 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile

1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (PubChem CID 116958024) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
PubChem CID116958024
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
SMILESCCOc1ccc(C(NC)C2(C#N)CC2)cc1C
InChIInChI=1S/C15H20N2O/c1-4-18-13-6-5-12(9-11(13)2)14(17-3)15(10-16)7-8-15/h5-6,9,14,17H,4,7-8H2,1-3H3
InChIKeyVUBYMGAPBLNEAL-UHFFFAOYSA-N
XLogP2.96
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958669
2-(4-ethoxy-3-methylphenyl)-2-(methylamino)acetonitrile
CID 116955008
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958660
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
2-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]-3-methylbutanenitrile
CID 116960687
1-[(3,4-dichlorophenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958075
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carbonitrile
CID 116942954
1-(4-ethoxy-3-methylphenyl)-2-methoxy-N-methylethanamine
CID 112517931
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(azetidin-3-yl)-1-(4-ethoxy-3-methylphenyl)-N-methylmethanamine
CID 116950761

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile (CID 116958024) is 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is CCOc1ccc(C(NC)C2(C#N)CC2)cc1C.
What is the InChIKey of 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is VUBYMGAPBLNEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-18-13-6-5-12(9-11(13)2)14(17-3)15(10-16)7-8-15/h5-6,9,14,17H,4,7-8H2,1-3H3.
What are the key properties of 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile?
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 116958024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).