3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine

C17H29NO — CID 116726891

IUPAC3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(CC)cc1)C(C)(C)OCC
InChIInChI=1S/C17H29NO/c1-6-14-9-11-15(12-10-14)13-16(18-7-2)17(4,5)19-8-3/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyMAUSSNAGAJIOSP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.58
Rot. Bonds8

About 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine

3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine (PubChem CID 116726891) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
PubChem CID116726891
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
SMILESCCNC(Cc1ccc(CC)cc1)C(C)(C)OCC
InChIInChI=1S/C17H29NO/c1-6-14-9-11-15(12-10-14)13-16(18-7-2)17(4,5)19-8-3/h9-12,16,18H,6-8,13H2,1-5H3
InChIKeyMAUSSNAGAJIOSP-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.58
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
3-ethoxy-N-ethyl-3-methyl-1-(4-methylphenyl)pentan-2-amine
CID 116759088
1-(2,5-difluorophenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726754
3-ethoxy-N-ethyl-3-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 116726736
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
3-ethoxy-N,3-diethyl-1-pyridin-4-ylpentan-2-amine
CID 116760085
3-ethoxy-1-(5-ethyl-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 116726555
3-ethoxy-1-(furan-3-yl)-3-methyl-N-propylbutan-2-amine
CID 116727069
N-ethyl-3,3-dimethyl-1-(4-methylphenyl)pentan-2-amine
CID 62678800
3-ethoxy-N-ethyl-1-(3-fluorophenyl)-3-methylpentan-2-amine
CID 116759095
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine (CID 116726891) is 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine is CCNC(Cc1ccc(CC)cc1)C(C)(C)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine?
The InChIKey is MAUSSNAGAJIOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-14-9-11-15(12-10-14)13-16(18-7-2)17(4,5)19-8-3/h9-12,16,18H,6-8,13H2,1-5H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine?
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 116726891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).