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

C16H28N2O — CID 116960807

IUPAC2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)C(NC)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H28N2O/c1-7-13(10-17-4)15(18-5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15,17-18H,7,10H2,1-6H3
InChIKeyCSSVQHWPOXHFRS-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.82
Rot. Bonds7

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

2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine (PubChem CID 116960807) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
PubChem CID116960807
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
SMILESCCC(CNC)C(NC)c1cc(C)cc(C)c1OC
InChIInChI=1S/C16H28N2O/c1-7-13(10-17-4)15(18-5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15,17-18H,7,10H2,1-6H3
InChIKeyCSSVQHWPOXHFRS-UHFFFAOYSA-N
XLogP2.82
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N'-methylpropane-1,3-diamine
CID 116946510
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 116913355
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905902
2-[(5-chloro-2-methoxy-3-methylphenyl)-(methylamino)methyl]butanenitrile
CID 116960565
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
4-(2-methoxy-3,5-dimethylphenyl)-4-(methylamino)butanenitrile
CID 116955312

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine (CID 116960807) is 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine is CCC(CNC)C(NC)c1cc(C)cc(C)c1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is CSSVQHWPOXHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-13(10-17-4)15(18-5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15,17-18H,7,10H2,1-6H3.
What are the key properties of 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine?
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.82, 7 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-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116960807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).