(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine

C16H18FNO — CID 63370497

IUPAC(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
SMILESCC(Oc1ccc([C@@H](C)N)cc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11(18)14-8-9-16(15(17)10-14)19-12(2)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/t11-,12?/m1/s1
InChIKeyQFKJDTFCTAVDCH-JHJMLUEUSA-N
MW259.32 g/mol
LogP3.99
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine (PubChem CID 63370497) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
PubChem CID63370497
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
SMILESCC(Oc1ccc([C@@H](C)N)cc1F)c1ccccc1
InChIInChI=1S/C16H18FNO/c1-11(18)14-8-9-16(15(17)10-14)19-12(2)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/t11-,12?/m1/s1
InChIKeyQFKJDTFCTAVDCH-JHJMLUEUSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
5-fluoro-2-methoxy-4-(1-phenylethoxy)aniline
CID 107259817
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
CID 113389444
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-[4-(2-tert-butylphenoxy)-3-fluorophenyl]ethanamine
CID 43103758
1-(4-cyclopropyloxy-3-fluorophenyl)ethanamine
CID 130562859
(1S)-1-[3-fluoro-4-(2,3,6-trimethylphenoxy)phenyl]ethanamine
CID 78938010
(1R)-1-[4-(2-butan-2-ylphenoxy)-3-fluorophenyl]ethanamine
CID 63369801

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine (CID 63370497) is (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine is CC(Oc1ccc([C@@H](C)N)cc1F)c1ccccc1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine?
The InChIKey is QFKJDTFCTAVDCH-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11(18)14-8-9-16(15(17)10-14)19-12(2)13-6-4-3-5-7-13/h3-12H,18H2,1-2H3/t11-,12?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine is sourced from PubChem (CID 63370497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).