2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine

C18H31NO2 — CID 103433948

IUPAC2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1OC)C(C)(CC)OCC
InChIInChI=1S/C18H31NO2/c1-8-18(6,21-10-3)17(19-9-2)15-12-11-13(4)14(5)16(15)20-7/h11-12,17,19H,8-10H2,1-7H3
InChIKeyXCTGTZILIAXJAX-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.17
Rot. Bonds8

About 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine

2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine (PubChem CID 103433948) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
PubChem CID103433948
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCNC(c1ccc(C)c(C)c1OC)C(C)(CC)OCC
InChIInChI=1S/C18H31NO2/c1-8-18(6,21-10-3)17(19-9-2)15-12-11-13(4)14(5)16(15)20-7/h11-12,17,19H,8-10H2,1-7H3
InChIKeyXCTGTZILIAXJAX-UHFFFAOYSA-N
XLogP4.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
N-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 103433934
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433952
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 103435385
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
N-[1-(2-methoxy-3,4-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 103435172
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103433925
1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
CID 103448788

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine (CID 103433948) is 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine is CCNC(c1ccc(C)c(C)c1OC)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine?
The InChIKey is XCTGTZILIAXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-8-18(6,21-10-3)17(19-9-2)15-12-11-13(4)14(5)16(15)20-7/h11-12,17,19H,8-10H2,1-7H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine?
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 103433948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).