1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine

C17H20FNO — CID 104659008

IUPAC1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-20-16-10-5-4-9-15(16)17(2,19)13-7-6-8-14(18)12-13/h4-10,12H,3,11,19H2,1-2H3
InChIKeyFUEXGKFMLGVHES-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine

1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine (PubChem CID 104659008) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
PubChem CID104659008
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1cccc(F)c1
InChIInChI=1S/C17H20FNO/c1-3-11-20-16-10-5-4-9-15(16)17(2,19)13-7-6-8-14(18)12-13/h4-10,12H,3,11,19H2,1-2H3
InChIKeyFUEXGKFMLGVHES-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659022
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
1-(3-methoxyphenyl)-1-(2-propoxyphenyl)ethanol
CID 104658498
1-(3-fluorophenyl)-1-(2-methylphenyl)propan-1-amine
CID 114872777
[2-[2-(3-fluorophenyl)propan-2-yl]phenyl]methanamine
CID 151790287
1-(3-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 54919053
1-(5-fluoro-2-methylphenyl)-1-(3-methylphenyl)ethanamine
CID 62788866
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
1-phenyl-2-(2-propoxyphenyl)butan-2-amine
CID 104659088
1-(3-fluorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787438

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine (CID 104659008) is 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(C)(N)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine?
The InChIKey is FUEXGKFMLGVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-11-20-16-10-5-4-9-15(16)17(2,19)13-7-6-8-14(18)12-13/h4-10,12H,3,11,19H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine?
1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104659008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).