2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine

C17H20FNO — CID 115918108

IUPAC2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C17H20FNO/c1-2-12-20-16-10-8-15(9-11-16)17(18,13-19)14-6-4-3-5-7-14/h3-11H,2,12-13,19H2,1H3
InChIKeyYIULZUXCILFYIQ-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds6

About 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine

2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine (PubChem CID 115918108) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
PubChem CID115918108
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(F)(CN)c2ccccc2)cc1
InChIInChI=1S/C17H20FNO/c1-2-12-20-16-10-8-15(9-11-16)17(18,13-19)14-6-4-3-5-7-14/h3-11H,2,12-13,19H2,1H3
InChIKeyYIULZUXCILFYIQ-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3,3-dimethyl-2-(4-propoxyphenyl)butan-1-amine
CID 112566600
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
2-(5-ethoxy-3-pyridinyl)-2-fluoro-2-phenylethanamine
CID 112566360
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
CID 154155792
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
ethoxybenzene;propoxybenzene
CID 67747691
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine (CID 115918108) is 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(F)(CN)c2ccccc2)cc1.
What is the InChIKey of 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine?
The InChIKey is YIULZUXCILFYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-2-12-20-16-10-8-15(9-11-16)17(18,13-19)14-6-4-3-5-7-14/h3-11H,2,12-13,19H2,1H3.
What are the key properties of 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine?
2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-phenyl-2-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 115918108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).