1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile

C15H20N2O2 — CID 115242157

IUPAC1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(C)c(N(C)CC2(C#N)CC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11-7-12(18-3)8-13(19-4)14(11)17(2)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3
InChIKeyDGFTUSREDAZIDL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.75
Rot. Bonds5

About 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile

1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 115242157) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID115242157
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(C)c(N(C)CC2(C#N)CC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11-7-12(18-3)8-13(19-4)14(11)17(2)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3
InChIKeyDGFTUSREDAZIDL-UHFFFAOYSA-N
XLogP2.75
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245139
1-[(4-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242171
2,4-dimethoxy-N-(methoxymethyl)-N,6-dimethylaniline
CID 115258433
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
1-(2,4-dimethoxy-N,6-dimethylanilino)-2-methylpropan-2-ol
CID 115136932
1-[(N,2,5-trimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242056
1-[[methyl-(3-methylthiophen-2-yl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242191
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245198
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
1-[(2-chloro-4-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245166
1-(2,4,6-trimethoxyphenyl)cyclopropane-1-carbonitrile
CID 83713796
1-[[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242577

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile (CID 115242157) is 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile is COc1cc(C)c(N(C)CC2(C#N)CC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is DGFTUSREDAZIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-12(18-3)8-13(19-4)14(11)17(2)10-15(9-16)5-6-15/h7-8H,5-6,10H2,1-4H3.
What are the key properties of 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).