1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine

C14H24N2O2 — CID 116933582

IUPAC1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1ccc(C(N)CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-9-12(17-4)7-6-10(13(9)18-5)11(15)8-14(2,3)16/h6-7,11H,8,15-16H2,1-5H3
InChIKeyPDIZJRCUHLWZPW-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.14
Rot. Bonds5

About 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine

1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine (PubChem CID 116933582) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
PubChem CID116933582
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1ccc(C(N)CC(C)(C)N)c(OC)c1C
InChIInChI=1S/C14H24N2O2/c1-9-12(17-4)7-6-10(13(9)18-5)11(15)8-14(2,3)16/h6-7,11H,8,15-16H2,1-5H3
InChIKeyPDIZJRCUHLWZPW-UHFFFAOYSA-N
XLogP2.14
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxy-3-methylphenyl)-3-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-(2,4-dimethoxy-3-methylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112518914
3-(2,4-dimethoxy-3-methylphenyl)-4,4-dimethylpentan-1-amine
CID 112517349
3-methyl-1-(2,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933618
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-(4-methoxy-2,3-dimethylphenyl)-2-methylsulfanylethanamine
CID 116830301
(1S)-3,3,3-trifluoro-1-(2,3,4-trimethoxyphenyl)propan-1-amine;hydrochloride
CID 171219378
cyclobutyl-(2,4-dimethoxy-3-methylphenyl)methanamine
CID 82291299
2-[amino-(2,4-dimethoxy-3-methylphenyl)methyl]butanoic acid
CID 116945089
1-(2,4-dimethoxy-3-methylphenyl)-2-pyrrolidin-3-ylethanamine
CID 116936143
1-amino-1-(4-methoxy-2,3-dimethylphenyl)-2-methylpropan-2-ol
CID 116942110
4,4-dimethyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 115850047
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine (CID 116933582) is 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine is COc1ccc(C(N)CC(C)(C)N)c(OC)c1C.
What is the InChIKey of 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine?
The InChIKey is PDIZJRCUHLWZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-9-12(17-4)7-6-10(13(9)18-5)11(15)8-14(2,3)16/h6-7,11H,8,15-16H2,1-5H3.
What are the key properties of 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine?
1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-3-methylphenyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 116933582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).