N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine

C16H24FNO — CID 115827795

IUPACN-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-18-16(14-8-3-4-9-15(14)17)11-10-13-7-5-6-12-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyOCYJUXTURLGBTI-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds6

About N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine

N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine (PubChem CID 115827795) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
PubChem CID115827795
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCCO1)c1ccccc1F
InChIInChI=1S/C16H24FNO/c1-2-18-16(14-8-3-4-9-15(14)17)11-10-13-7-5-6-12-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3
InChIKeyOCYJUXTURLGBTI-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-ethyl-1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-amine
CID 105038119
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
N-ethyl-1-(3-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166981
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
N-ethyl-1-(5-fluoro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65164298
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
1-(1-benzofuran-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105043949
N-ethyl-3-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 65164240
N-ethyl-3-(oxolan-2-yl)-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 65156525
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65164611
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine (CID 115827795) is N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine is CCNC(CCC1CCCCO1)c1ccccc1F.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine?
The InChIKey is OCYJUXTURLGBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-2-18-16(14-8-3-4-9-15(14)17)11-10-13-7-5-6-12-19-13/h3-4,8-9,13,16,18H,2,5-7,10-12H2,1H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine?
N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 115827795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).