2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine

C15H26N2O — CID 115254869

IUPAC2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-13(10-16-3)11-17(4)14-9-12(2)7-8-15(14)18-5/h7-9,13,16H,6,10-11H2,1-5H3
InChIKeyTVXJAEHXBWQBLD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.69
Rot. Bonds7

About 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine

2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 115254869) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID115254869
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)CN(C)c1cc(C)ccc1OC
InChIInChI=1S/C15H26N2O/c1-6-13(10-16-3)11-17(4)14-9-12(2)7-8-15(14)18-5/h7-9,13,16H,6,10-11H2,1-5H3
InChIKeyTVXJAEHXBWQBLD-UHFFFAOYSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-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

2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
N-(2-methoxy-5-methylphenyl)-N-methyl-2-(methylamino)acetamide
CID 82494481
3-(2-methoxy-N,5-dimethylanilino)-2-(methylamino)-3-oxopropanoic acid
CID 115189358
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine (CID 115254869) is 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine is CCC(CNC)CN(C)c1cc(C)ccc1OC.
What is the InChIKey of 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is TVXJAEHXBWQBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-13(10-16-3)11-17(4)14-9-12(2)7-8-15(14)18-5/h7-9,13,16H,6,10-11H2,1-5H3.
What are the key properties of 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine?
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115254869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).