1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

C15H14F3NO — CID 107686784

IUPAC1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-19-8-10-5-6-14(13(17)7-10)20-9-11-3-2-4-12(16)15(11)18/h2-7,19H,8-9H2,1H3
InChIKeyXGNPBNZONHYZPC-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine

1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (PubChem CID 107686784) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
PubChem CID107686784
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C15H14F3NO/c1-19-8-10-5-6-14(13(17)7-10)20-9-11-3-2-4-12(16)15(11)18/h2-7,19H,8-9H2,1H3
InChIKeyXGNPBNZONHYZPC-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658767
1-[5-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 43658765
1-[4-[(2,6-dimethylphenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686671
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
1-[4-[(4-chlorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686447
1-[3-fluoro-4-(pyridin-4-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686491
1-[3-bromo-4-[(2-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 102772944
3-[[2-bromo-4-(methylaminomethyl)phenoxy]methyl]-2-fluorobenzonitrile
CID 107114250
1-[3-fluoro-4-(1,2-oxazol-5-ylmethoxy)phenyl]-N-methylmethanamine
CID 107686603
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
methyl 2-[2-fluoro-4-(methylaminomethyl)phenoxy]acetate
CID 107686567
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine (CID 107686784) is 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(OCc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is XGNPBNZONHYZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-19-8-10-5-6-14(13(17)7-10)20-9-11-3-2-4-12(16)15(11)18/h2-7,19H,8-9H2,1H3.
What are the key properties of 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine?
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107686784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).