3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine

C17H28FNO — CID 114348350

IUPAC3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1C)C(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-10-19-16(17(6-2)20-7-3)12-14-8-9-15(18)11-13(14)4/h8-9,11,16-17,19H,5-7,10,12H2,1-4H3
InChIKeyBAACYVJSEMYNBS-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.86
Rot. Bonds9

About 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine

3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine (PubChem CID 114348350) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
PubChem CID114348350
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1C)C(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-10-19-16(17(6-2)20-7-3)12-14-8-9-15(18)11-13(14)4/h8-9,11,16-17,19H,5-7,10,12H2,1-4H3
InChIKeyBAACYVJSEMYNBS-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
1-(2,5-difluorophenyl)-3-ethoxy-N-ethylpentan-2-amine
CID 116716823
1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
3-ethoxy-1-(2-methoxy-5-methylphenyl)-N-propylpentan-2-amine
CID 116717260
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
1-(5-fluoro-2-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 105373704
1-(2,4-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 116717237
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
3-ethoxy-1-(5-fluoro-2-methylphenyl)pentan-2-amine
CID 105374355
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine (CID 114348350) is 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine is CCCNC(Cc1ccc(F)cc1C)C(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is BAACYVJSEMYNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-10-19-16(17(6-2)20-7-3)12-14-8-9-15(18)11-13(14)4/h8-9,11,16-17,19H,5-7,10,12H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine?
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 281.42 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 114348350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).