3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine

C18H31NO — CID 116726736

IUPAC3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCCNC(Cc1c(C)cc(C)cc1C)C(C)(C)OCC
InChIInChI=1S/C18H31NO/c1-8-19-17(18(6,7)20-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3
InChIKeyPSAGTKSCKSTTCQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.95
Rot. Bonds7

About 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine

3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 116726736) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID116726736
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCCNC(Cc1c(C)cc(C)cc1C)C(C)(C)OCC
InChIInChI=1S/C18H31NO/c1-8-19-17(18(6,7)20-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3
InChIKeyPSAGTKSCKSTTCQ-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726799
N-ethyl-3-methoxy-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 116757856
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726754
[1-(3,5-dimethylphenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274027
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
2-(2,2-diethoxyethyl)-1,3,5-trimethylbenzene
CID 146004844
[1,1,1-trifluoro-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105215820
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
N-ethyl-1-(4-methylcyclohexyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63415653
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 116726736) is 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine is CCNC(Cc1c(C)cc(C)cc1C)C(C)(C)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is PSAGTKSCKSTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-19-17(18(6,7)20-9-2)12-16-14(4)10-13(3)11-15(16)5/h10-11,17,19H,8-9,12H2,1-7H3.
What are the key properties of 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine?
3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 116726736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).