(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine

C15H14F3NO — CID 107719182

IUPAC(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyXZVLWXKIORLLBN-VIFPVBQESA-N
MW281.28 g/mol
LogP3.70
Rot. Bonds4

About (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine

(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine (PubChem CID 107719182) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
PubChem CID107719182
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
SMILESC[C@H](N)c1ccc(OCc2ccc(F)cc2F)cc1F
InChIInChI=1S/C15H14F3NO/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1
InChIKeyXZVLWXKIORLLBN-VIFPVBQESA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
(1S)-1-[4-[(2-chloro-4-methylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718907
1-[4-[(4-ethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107715998
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
(1S)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718903
(1R)-1-[4-[(2-bromo-5-methoxyphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718303
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718357
1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107716098
(1S)-1-[4-[(3,5-dimethylphenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107718926

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine (CID 107719182) is (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine is C[C@H](N)c1ccc(OCc2ccc(F)cc2F)cc1F.
What is the InChIKey of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
The InChIKey is XZVLWXKIORLLBN-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)13-5-4-12(7-15(13)18)20-8-10-2-3-11(16)6-14(10)17/h2-7,9H,8,19H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine?
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine is sourced from PubChem (CID 107719182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).