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

C17H28FNO — CID 114348360

IUPAC3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)C(OCC)C(C)C
InChIInChI=1S/C17H28FNO/c1-6-19-16(17(12(3)4)20-7-2)11-14-8-9-15(18)10-13(14)5/h8-10,12,16-17,19H,6-7,11H2,1-5H3
InChIKeyNXKFFZBBKGBEQZ-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.72
Rot. Bonds8

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

3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine (PubChem CID 114348360) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
PubChem CID114348360
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(F)cc1C)C(OCC)C(C)C
InChIInChI=1S/C17H28FNO/c1-6-19-16(17(12(3)4)20-7-2)11-14-8-9-15(18)10-13(14)5/h8-10,12,16-17,19H,6-7,11H2,1-5H3
InChIKeyNXKFFZBBKGBEQZ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethoxy-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114348126
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylbutan-2-amine
CID 114347916
N-ethyl-1-(4-fluoro-2-methylphenyl)-3-propylhexan-2-amine
CID 105051215
3-ethoxy-N-ethyl-1-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 116721401
3-(2,4-difluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79496290
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 102619350
3-ethoxy-1-(4-fluoro-2-methylphenyl)-N-propylpentan-2-amine
CID 114348350
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(3-chloro-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 103040493
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine (CID 114348360) is 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine is CCNC(Cc1ccc(F)cc1C)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
The InChIKey is NXKFFZBBKGBEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-6-19-16(17(12(3)4)20-7-2)11-14-8-9-15(18)10-13(14)5/h8-10,12,16-17,19H,6-7,11H2,1-5H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine?
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine has a molecular weight of 281.41 g/mol, XLogP of 3.72, 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-fluoro-2-methylphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 114348360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).