2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine

C17H28FNO — CID 116760420

IUPAC2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1F)C(CC)(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-13-19-16(14-11-9-10-12-15(14)18)17(6-2,7-3)20-8-4/h9-12,16,19H,5-8,13H2,1-4H3
InChIKeyVZTMRRPCSAXTBJ-UHFFFAOYSA-N
MW281.41 g/mol
LogP4.46
Rot. Bonds9

About 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine

2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine (PubChem CID 116760420) has the molecular formula C17H28FNO and a molecular weight of 281.41 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
PubChem CID116760420
Molecular FormulaC17H28FNO
Molecular Weight281.41 g/mol
Exact Mass281.22
IUPAC Name2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
SMILESCCCNC(c1ccccc1F)C(CC)(CC)OCC
InChIInChI=1S/C17H28FNO/c1-5-13-19-16(14-11-9-10-12-15(14)18)17(6-2,7-3)20-8-4/h9-12,16,19H,5-8,13H2,1-4H3
InChIKeyVZTMRRPCSAXTBJ-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
1-(2,3-dichlorophenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760422
1-(2,3-difluorophenyl)-2-ethoxy-N,2-diethylbutan-1-amine
CID 116760247
N,2-diethyl-1-(2-fluorophenyl)-2-methoxybutan-1-amine
CID 116761268
2-ethoxy-2-ethyl-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116760388
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
2-ethoxy-1-(2-ethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 116727056
2-ethoxy-2-ethyl-1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 116760343
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
2-(2-fluorophenyl)-N-propylpentan-3-amine
CID 79308291
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine (CID 116760420) is 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine is CCCNC(c1ccccc1F)C(CC)(CC)OCC.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine?
The InChIKey is VZTMRRPCSAXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-13-19-16(14-11-9-10-12-15(14)18)17(6-2,7-3)20-8-4/h9-12,16,19H,5-8,13H2,1-4H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine?
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine has a molecular weight of 281.41 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine is sourced from PubChem (CID 116760420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).