2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine

C15H26N2O — CID 116946510

IUPAC2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H26N2O/c1-6-12(9-17-4)15(16)14-11(3)7-10(2)8-13(14)18-5/h7-8,12,15,17H,6,9,16H2,1-5H3
InChIKeyGWQDLDZKNMJEJA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.56
Rot. Bonds6

About 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine (PubChem CID 116946510) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
PubChem CID116946510
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)C(N)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H26N2O/c1-6-12(9-17-4)15(16)14-11(3)7-10(2)8-13(14)18-5/h7-8,12,15,17H,6,9,16H2,1-5H3
InChIKeyGWQDLDZKNMJEJA-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508
1-(2-methoxy-4,6-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945907
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethane-1,2-diamine
CID 116934935
2-ethyl-N'-methyl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116946494
ethyl 2-amino-2-(2-methoxy-4,6-dimethylphenyl)acetate
CID 3904081
N'-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethane-1,2-diamine
CID 116950363
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
2-[amino-(2-methoxy-4,6-dimethylphenyl)methyl]-3-methylbutan-1-ol
CID 116945650
2-N,2-N-diethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-methylpropane-1,2-diamine
CID 106680712
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-2-N,2-N-dimethylbutane-1,2-diamine
CID 106680723
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine (CID 116946510) is 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine is CCC(CNC)C(N)c1c(C)cc(C)cc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is GWQDLDZKNMJEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12(9-17-4)15(16)14-11(3)7-10(2)8-13(14)18-5/h7-8,12,15,17H,6,9,16H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine?
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 116946510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).