1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine

C14H24N2O — CID 115199192

IUPAC1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)cc(C)c1N(C)CCC(C)N
InChIInChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-5)16(4)7-6-12(3)15/h8-9,12H,6-7,15H2,1-5H3
InChIKeyWXZOGILDOLFFPD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds5

About 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine

1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine (PubChem CID 115199192) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
PubChem CID115199192
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine
SMILESCOc1cc(C)cc(C)c1N(C)CCC(C)N
InChIInChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-5)16(4)7-6-12(3)15/h8-9,12H,6-7,15H2,1-5H3
InChIKeyWXZOGILDOLFFPD-UHFFFAOYSA-N
XLogP2.49
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine 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-N-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203758
3-(2-methoxy-N,4,6-trimethylanilino)propane-1-thiol
CID 115224772
1-N-(4-methoxy-3-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 115199109
4-(2-methoxy-N,4,6-trimethylanilino)butanenitrile
CID 115231605
N-(bromomethyl)-2-methoxy-N,4,6-trimethylaniline
CID 115261763
2-[(2-methoxy-N,4,6-trimethylanilino)methyl]-3-methylbutanenitrile
CID 115254389
1-N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-N-methylpentane-1,4-diamine
CID 115203955
1-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199401
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,4,6-trimethylaniline
CID 115244018
1-N-(2-methoxy-4,6-dimethylphenyl)pentane-1,4-diamine
CID 115203619
3-amino-N-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropanamide
CID 115153589

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine (CID 115199192) is 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine is COc1cc(C)cc(C)c1N(C)CCC(C)N.
What is the InChIKey of 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine?
The InChIKey is WXZOGILDOLFFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-8-11(2)14(13(9-10)17-5)16(4)7-6-12(3)15/h8-9,12H,6-7,15H2,1-5H3.
What are the key properties of 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine?
1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-4,6-dimethylphenyl)-1-N-methylbutane-1,3-diamine is sourced from PubChem (CID 115199192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).