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

C16H28N2O — CID 116913355

IUPAC2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCC(CN)C(c1cc(C)cc(C)c1OC)N(C)C
InChIInChI=1S/C16H28N2O/c1-7-13(10-17)15(18(4)5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15H,7,10,17H2,1-6H3
InChIKeyHHYPXOPMFVTRBT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds6

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 116913355) 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 CID116913355
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(CN)C(c1cc(C)cc(C)c1OC)N(C)C
InChIInChI=1S/C16H28N2O/c1-7-13(10-17)15(18(4)5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15H,7,10,17H2,1-6H3
InChIKeyHHYPXOPMFVTRBT-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
2-[amino-(2-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116945325
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905902
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
2-[dimethylamino-(4-methoxy-3,5-dimethylphenyl)methyl]butan-1-ol
CID 116913282
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
2-[2-(2-methoxy-3,5-dimethylphenyl)butyl]-3-methyloxirane
CID 83941990
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)propane-1,3-diamine
CID 116945508

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 116913355) 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(CN)C(c1cc(C)cc(C)c1OC)N(C)C.
What is the InChIKey of 2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is HHYPXOPMFVTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-13(10-17)15(18(4)5)14-9-11(2)8-12(3)16(14)19-6/h8-9,13,15H,7,10,17H2,1-6H3.
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 2.90, 6 rotatable bonds, 1 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 116913355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).