(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine

C15H15F2NO — CID 107718259

IUPAC(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C15H15F2NO/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyBBYOVPJBTRHZID-SNVBAGLBSA-N
MW263.29 g/mol
LogP3.56
Rot. Bonds4

About (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine

(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 107718259) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID107718259
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCc2ccc(F)cc2)cc1F
InChIInChI=1S/C15H15F2NO/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1
InChIKeyBBYOVPJBTRHZID-SNVBAGLBSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718633
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
1-[2-fluoro-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 107715958
5-[[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]methyl]-2-fluorobenzonitrile
CID 107880004
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1R)-1-[2-fluoro-4-[(3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107718291
(1S)-1-[2-fluoro-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanamine
CID 107718705

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine (CID 107718259) is (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(OCc2ccc(F)cc2)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is BBYOVPJBTRHZID-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18)14-7-6-13(8-15(14)17)19-9-11-2-4-12(16)5-3-11/h2-8,10H,9,18H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine?
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107718259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).