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

C15H26N2O — CID 116905902

IUPACN'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cc(C)cc(C)c1OC)N(C)C
InChIInChI=1S/C15H26N2O/c1-7-16-10-14(17(4)5)13-9-11(2)8-12(3)15(13)18-6/h8-9,14,16H,7,10H2,1-6H3
InChIKeyUSCQFYOJQOJDFC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds6

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

N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116905902) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID116905902
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cc(C)cc(C)c1OC)N(C)C
InChIInChI=1S/C15H26N2O/c1-7-16-10-14(17(4)5)13-9-11(2)8-12(3)15(13)18-6/h8-9,14,16H,7,10H2,1-6H3
InChIKeyUSCQFYOJQOJDFC-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
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-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905892
3-[[2-hydroxy-2-(2-methoxy-3,5-dimethylphenyl)ethyl]-methylamino]propanoic acid
CID 82216917
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
2-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116960807
1-(2-methoxy-3,5-dimethylphenyl)-N,N,2-trimethylbutane-1,4-diamine
CID 116905379
methyl 3-(2-methoxy-3,5-dimethylphenyl)-3-(methylamino)propanoate
CID 116955429
N-ethyl-3-(2-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 98014326
1-(2,5-dimethoxy-3,4-dimethylphenyl)-N,N,N'-trimethylethane-1,2-diamine
CID 116855775

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine (CID 116905902) is N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is CCNCC(c1cc(C)cc(C)c1OC)N(C)C.
What is the InChIKey of N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is USCQFYOJQOJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-7-16-10-14(17(4)5)13-9-11(2)8-12(3)15(13)18-6/h8-9,14,16H,7,10H2,1-6H3.
What are the key properties of N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine?
N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(2-methoxy-3,5-dimethylphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116905902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).