(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

C16H17F2NO2 — CID 78930423

IUPAC(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3/t10-/m0/s1
InChIKeyOSWXZVYPMYEVPX-JTQLQIEISA-N
MW293.31 g/mol
LogP3.57
Rot. Bonds5

About (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine

(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 78930423) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID78930423
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc([C@H](C)N)ccc1OCc1ccc(F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3/t10-/m0/s1
InChIKeyOSWXZVYPMYEVPX-JTQLQIEISA-N
XLogP3.57
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-bromo-2-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60877895
(1R)-1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615294
(1S)-1-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 78930977
(1R)-1-[4-[(5-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanol
CID 105372092
(1R)-1-[4-(2-fluoroethoxy)-3-methoxyphenyl]ethanamine
CID 80699992
1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 50896740
(1S)-1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethanamine
CID 78932669
(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 102616497
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-[3-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63937359
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
2-[[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]methyl]benzonitrile
CID 63366594

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 78930423) is (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cc([C@H](C)N)ccc1OCc1ccc(F)cc1F.
What is the InChIKey of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is OSWXZVYPMYEVPX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-10(19)11-4-6-15(16(7-11)20-2)21-9-12-3-5-13(17)8-14(12)18/h3-8,10H,9,19H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine?
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(2,4-difluorophenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 78930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).