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

C14H18N2O — CID 115241999

IUPAC1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(C)cc(C)c1NCC1(C#N)CC1
InChIInChI=1S/C14H18N2O/c1-10-6-11(2)13(12(7-10)17-3)16-9-14(8-15)4-5-14/h6-7,16H,4-5,9H2,1-3H3
InChIKeyHFDGBMDPCHKIBO-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.03
Rot. Bonds4

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

1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile (PubChem CID 115241999) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
PubChem CID115241999
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(C)cc(C)c1NCC1(C#N)CC1
InChIInChI=1S/C14H18N2O/c1-10-6-11(2)13(12(7-10)17-3)16-9-14(8-15)4-5-14/h6-7,16H,4-5,9H2,1-3H3
InChIKeyHFDGBMDPCHKIBO-UHFFFAOYSA-N
XLogP3.03
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245077
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
2-methoxy-4,6-dimethyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244536
1-[(2-methoxy-3,4,6-trimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245090
N'-(2-methoxy-4,6-dimethylphenyl)methanediamine
CID 115225448
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
1-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242542
N-(2-chloroethyl)-2-methoxy-4,6-dimethylaniline
CID 115214635
1-[(3-tert-butyl-4-methoxyanilino)methyl]cyclopropane-1-carbonitrile
CID 115241931
1-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242207
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
3-[(4,5-dimethoxy-2-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247782

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile (CID 115241999) is 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile is COc1cc(C)cc(C)c1NCC1(C#N)CC1.
What is the InChIKey of 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
The InChIKey is HFDGBMDPCHKIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-6-11(2)13(12(7-10)17-3)16-9-14(8-15)4-5-14/h6-7,16H,4-5,9H2,1-3H3.
What are the key properties of 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile?
1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115241999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).