4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine

C15H24FNO — CID 105142729

IUPAC4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNO/c1-4-17-15(7-6-10-18-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyGEJBOKOFXKEHOG-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.60
Rot. Bonds8

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

4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine (PubChem CID 105142729) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
PubChem CID105142729
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine
SMILESCCNC(CCCOCC)c1ccc(F)cc1C
InChIInChI=1S/C15H24FNO/c1-4-17-15(7-6-10-18-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3
InChIKeyGEJBOKOFXKEHOG-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
4-ethoxy-1-(5-fluoro-2-methylphenyl)-N-methylbutan-1-amine
CID 105142408
N-ethyl-1-(4-fluoro-2-methylphenyl)pent-4-en-1-amine
CID 81276354
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 55152994
N,3-diethyl-1-(4-fluoro-2-methylphenyl)pentan-1-amine
CID 82923467
1-(4-fluoro-2-methylphenyl)-N-propyloctan-1-amine
CID 81276836
N-ethyl-2-(4-ethylphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81269216
5-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-2-amine
CID 105188238
1-(3-bromo-2-fluorophenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 106648074
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylpentoxy)ethanamine
CID 63475815
4-ethoxy-1-(5-fluoro-2-methoxyphenyl)-N-methylbutan-1-amine
CID 105176513

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine (CID 105142729) is 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine is CCNC(CCCOCC)c1ccc(F)cc1C.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine?
The InChIKey is GEJBOKOFXKEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-17-15(7-6-10-18-5-2)14-9-8-13(16)11-12(14)3/h8-9,11,15,17H,4-7,10H2,1-3H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine?
4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)butan-1-amine is sourced from PubChem (CID 105142729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).