(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine

C15H14F3NO — CID 105402600

IUPAC(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)14-3-2-11(16)7-15(14)20-8-10-4-12(17)6-13(18)5-10/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyGKADAWYXTHLGCB-SECBINFHSA-N
MW281.28 g/mol
LogP3.70
Rot. Bonds4

About (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine

(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine (PubChem CID 105402600) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
PubChem CID105402600
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
SMILESC[C@@H](N)c1ccc(F)cc1OCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14F3NO/c1-9(19)14-3-2-11(16)7-15(14)20-8-10-4-12(17)6-13(18)5-10/h2-7,9H,8,19H2,1H3/t9-/m1/s1
InChIKeyGKADAWYXTHLGCB-SECBINFHSA-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

(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
(1R)-1-[2-[(3,4-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 82919188
1-[4-fluoro-2-(thiophen-3-ylmethoxy)phenyl]ethanamine
CID 63066366
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
(1R)-1-[2-[(2,6-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 63368063
4-[[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 78953410
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]propan-2-ol
CID 63368001
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
(1R)-1-(2-decoxy-4-fluorophenyl)ethanamine
CID 63486431
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 79698106
1-[4-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64773584

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The IUPAC name of (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine (CID 105402600) is (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine is C[C@@H](N)c1ccc(F)cc1OCc1cc(F)cc(F)c1.
What is the InChIKey of (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine?
The InChIKey is GKADAWYXTHLGCB-SECBINFHSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-9(19)14-3-2-11(16)7-15(14)20-8-10-4-12(17)6-13(18)5-10/h2-7,9H,8,19H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine?
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-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 (1R)-1-[2-[(3,5-difluorophenyl)methoxy]-4-fluorophenyl]ethanamine is sourced from PubChem (CID 105402600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).