2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine

C16H27NO — CID 116716895

IUPAC2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
SMILESCCNC(c1ccc(CC)cc1)C(CC)OCC
InChIInChI=1S/C16H27NO/c1-5-13-9-11-14(12-10-13)16(17-7-3)15(6-2)18-8-4/h9-12,15-17H,5-8H2,1-4H3
InChIKeyNWEGBUMGADKJCT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds8

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

2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine (PubChem CID 116716895) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
PubChem CID116716895
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
SMILESCCNC(c1ccc(CC)cc1)C(CC)OCC
InChIInChI=1S/C16H27NO/c1-5-13-9-11-14(12-10-13)16(17-7-3)15(6-2)18-8-4/h9-12,15-17H,5-8H2,1-4H3
InChIKeyNWEGBUMGADKJCT-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
2-ethoxy-N-ethyl-1-(4-propoxyphenyl)butan-1-amine
CID 116717020
[2-ethoxy-1-(4-ethylphenyl)pentyl]hydrazine
CID 105271510
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
1-(4-tert-butylphenyl)-2-ethoxy-N-methylbutan-1-amine
CID 116716499
[1-(4-chlorophenyl)-2-ethoxybutyl]hydrazine
CID 105271035
1-(4-cyclopropyloxyphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 114519795
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine (CID 116716895) is 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine is CCNC(c1ccc(CC)cc1)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine?
The InChIKey is NWEGBUMGADKJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-13-9-11-14(12-10-13)16(17-7-3)15(6-2)18-8-4/h9-12,15-17H,5-8H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine?
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine is sourced from PubChem (CID 116716895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).