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

C17H29NO2 — CID 103433952

IUPAC2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H29NO2/c1-8-17(9-2,20-7)16(18-5)14-11-10-12(3)13(4)15(14)19-6/h10-11,16,18H,8-9H2,1-7H3
InChIKeyFSBRELPSTMJXFD-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.78
Rot. Bonds7

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

2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (PubChem CID 103433952) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
PubChem CID103433952
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
SMILESCCC(CC)(OC)C(NC)c1ccc(C)c(C)c1OC
InChIInChI=1S/C17H29NO2/c1-8-17(9-2,20-7)16(18-5)14-11-10-12(3)13(4)15(14)19-6/h10-11,16,18H,8-9H2,1-7H3
InChIKeyFSBRELPSTMJXFD-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.78
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
1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103433382
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutane-1,2-diol
CID 103448788
1-(2-ethylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103435165
3-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine
CID 103434677
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760823
1-(2-methoxy-3,4-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 103435247
2-(dimethylamino)-2-ethyl-1-(2-methoxy-3,4-dimethylphenyl)butan-1-ol
CID 103433176
1-(2,6-dimethoxyphenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116810817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The IUPAC name of 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine (CID 103433952) is 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is CCC(CC)(OC)C(NC)c1ccc(C)c(C)c1OC.
What is the InChIKey of 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
The InChIKey is FSBRELPSTMJXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-8-17(9-2,20-7)16(18-5)14-11-10-12(3)13(4)15(14)19-6/h10-11,16,18H,8-9H2,1-7H3.
What are the key properties of 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine?
2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine has a molecular weight of 279.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 103433952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).