N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

C15H26N2O — CID 116905892

IUPACN'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cc(CC)ccc1OC)N(C)C
InChIInChI=1S/C15H26N2O/c1-6-12-8-9-15(18-5)13(10-12)14(17(3)4)11-16-7-2/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyMMZONHDGASZUTJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds7

About N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine

N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 116905892) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
PubChem CID116905892
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
SMILESCCNCC(c1cc(CC)ccc1OC)N(C)C
InChIInChI=1S/C15H26N2O/c1-6-12-8-9-15(18-5)13(10-12)14(17(3)4)11-16-7-2/h8-10,14,16H,6-7,11H2,1-5H3
InChIKeyMMZONHDGASZUTJ-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914618
1-(5-ethyl-2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932463
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
3-(dimethylamino)-3-(5-ethyl-2-methoxyphenyl)-2-methylpropan-1-ol
CID 83942689
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 116905861
2-amino-2-(5-ethyl-2-methoxyphenyl)ethanethiol
CID 116830495
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
1-(2,5-dimethoxyphenyl)-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 116905986
ethyl 2-(dimethylamino)-2-(5-ethyl-2-methoxyphenyl)acetate
CID 116914250
chloro-(5-ethyl-2-methoxyphenyl)methanamine
CID 116947761
3-amino-3-(5-ethyl-2-methoxyphenyl)propane-1-thiol
CID 116831240
1-(4-ethylphenyl)-N,N-dimethyl-N'-[(2,3,4-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 45479130

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine (CID 116905892) is N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is CCNCC(c1cc(CC)ccc1OC)N(C)C.
What is the InChIKey of N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is MMZONHDGASZUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-6-12-8-9-15(18-5)13(10-12)14(17(3)4)11-16-7-2/h8-10,14,16H,6-7,11H2,1-5H3.
What are the key properties of N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine?
N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(5-ethyl-2-methoxyphenyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 116905892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).