2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

C16H28N2O — CID 79060890

IUPAC2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccccc1OC)N(C)C
InChIInChI=1S/C16H28N2O/c1-7-16(8-2,18(4)5)15(17-3)13-11-9-10-12-14(13)19-6/h9-12,15,17H,7-8H2,1-6H3
InChIKeyUCIJWZLICSURFU-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.08
Rot. Bonds7

About 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine

2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (PubChem CID 79060890) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
PubChem CID79060890
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
SMILESCCC(CC)(C(NC)c1ccccc1OC)N(C)C
InChIInChI=1S/C16H28N2O/c1-7-16(8-2,18(4)5)15(17-3)13-11-9-10-12-14(13)19-6/h9-12,15,17H,7-8H2,1-6H3
InChIKeyUCIJWZLICSURFU-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-ethyl-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 105395177
1-(5-chloro-2-methoxyphenyl)-1-N,2-diethyl-2-N,2-N-dimethylbutane-1,2-diamine
CID 79058856
2-ethyl-1-N,2-N,2-N-trimethyl-1-quinolin-5-ylbutane-1,2-diamine
CID 81229333
3-ethyl-2-hydrazinyl-1-(2-methoxyphenyl)-N,N-dimethylpentan-3-amine
CID 105241886
2-ethyl-1-N,2-N,2-N-trimethyl-1-naphthalen-2-ylbutane-1,2-diamine
CID 79058618
3-(dimethylamino)-3-ethyl-1-(2-methoxyphenyl)pentan-2-ol
CID 79061839
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
1-(2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954416
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757780
2-ethyl-1-(2-ethylpyrazol-3-yl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine
CID 79061729

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine (CID 79060890) is 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is CCC(CC)(C(NC)c1ccccc1OC)N(C)C.
What is the InChIKey of 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
The InChIKey is UCIJWZLICSURFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-16(8-2,18(4)5)15(17-3)13-11-9-10-12-14(13)19-6/h9-12,15,17H,7-8H2,1-6H3.
What are the key properties of 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine?
2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxyphenyl)-1-N,2-N,2-N-trimethylbutane-1,2-diamine is sourced from PubChem (CID 79060890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).