1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile

C15H20N2O2 — CID 115245077

IUPAC1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(NCC2(C#N)CCC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11-7-12(18-2)8-13(19-3)14(11)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,10H2,1-3H3
InChIKeyWDSMYYSWJPZAKO-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.12
Rot. Bonds5

About 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile

1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile (PubChem CID 115245077) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
PubChem CID115245077
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile
SMILESCOc1cc(C)c(NCC2(C#N)CCC2)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-11-7-12(18-2)8-13(19-3)14(11)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,10H2,1-3H3
InChIKeyWDSMYYSWJPZAKO-UHFFFAOYSA-N
XLogP3.12
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-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-methoxy-4,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115241999
1-[(2-methoxy-3,4,6-trimethylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245090
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dimethoxy-6-methylaniline
CID 115243916
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
1-[[(2-methoxy-4,5-dimethylphenyl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245252
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
1-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242210
1-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929182
1-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116929209
1-N-(2,4-dimethoxy-6-methylphenyl)-3-methylbutane-1,3-diamine
CID 115200420
1-[[2-(2-methoxy-4,6-dimethylphenyl)ethylamino]methyl]cyclopropane-1-carbonitrile
CID 115242514
1-[(2,4-dimethoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245139

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile (CID 115245077) is 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile is COc1cc(C)c(NCC2(C#N)CCC2)c(OC)c1.
What is the InChIKey of 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is WDSMYYSWJPZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-7-12(18-2)8-13(19-3)14(11)17-10-15(9-16)5-4-6-15/h7-8,17H,4-6,10H2,1-3H3.
What are the key properties of 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile?
1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 260.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-6-methylanilino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).