N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine

C18H32N2O — CID 103433692

IUPACN,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H32N2O/c1-7-19-17(12-13-20(8-2)9-3)16-11-10-14(4)15(5)18(16)21-6/h10-11,17,19H,7-9,12-13H2,1-6H3
InChIKeyTZCACUPQZQOHRE-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.69
Rot. Bonds9

About N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine

N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine (PubChem CID 103433692) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
PubChem CID103433692
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H32N2O/c1-7-19-17(12-13-20(8-2)9-3)16-11-10-14(4)15(5)18(16)21-6/h10-11,17,19H,7-9,12-13H2,1-6H3
InChIKeyTZCACUPQZQOHRE-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-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

N,N-diethyl-3-hydrazinyl-3-(2-methoxy-3,4-dimethylphenyl)propan-1-amine
CID 103436034
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
1-(2,4-difluorophenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087248
N-[(4-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433284
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 103433934
N-[(2-methoxy-3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 103433974
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
N-[cyclohexyl-(2-methoxy-3,4-dimethylphenyl)methyl]ethanamine
CID 103433380
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172

Frequently Asked Questions

What is the IUPAC name of N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine?
The IUPAC name of N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine (CID 103433692) is N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(C)c(C)c1OC.
What is the InChIKey of N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine?
The InChIKey is TZCACUPQZQOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-19-17(12-13-20(8-2)9-3)16-11-10-14(4)15(5)18(16)21-6/h10-11,17,19H,7-9,12-13H2,1-6H3.
What are the key properties of N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine?
N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-triethyl-1-(2-methoxy-3,4-dimethylphenyl)propane-1,3-diamine is sourced from PubChem (CID 103433692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).