1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine

C15H15F2NO — CID 82918244

IUPAC1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3
InChIKeyPANHALMIQXXJIE-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.56
Rot. Bonds4

About 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine

1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 82918244) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
PubChem CID82918244
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2ccc(F)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3
InChIKeyPANHALMIQXXJIE-UHFFFAOYSA-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

(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
5-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107879536
(1R)-1-[3-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 55190099
(1R)-1-[3-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 30123362
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
(1S)-1-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 78930712
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
3-[[3-[(1S)-1-aminoethyl]phenoxy]methyl]benzonitrile
CID 55190628
(1S)-1-[3-[(3-bromo-4-fluorophenyl)methoxy]phenyl]ethanol
CID 78933667
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine (CID 82918244) is 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine is CC(N)c1cccc(OCc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is PANHALMIQXXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10(18)12-3-2-4-13(8-12)19-9-11-5-6-14(16)15(17)7-11/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine?
1-[3-[(3,4-difluorophenyl)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 1-[3-[(3,4-difluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82918244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).