1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine

C14H11F4NO — CID 63077723

IUPAC1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F4NO/c1-19-7-8-5-10(16)14(11(17)6-8)20-12-4-2-3-9(15)13(12)18/h2-6,19H,7H2,1H3
InChIKeyKRWFIXHULJWXLA-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine

1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine (PubChem CID 63077723) has the molecular formula C14H11F4NO and a molecular weight of 285.24 g/mol. Its IUPAC name is 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
PubChem CID63077723
Molecular FormulaC14H11F4NO
Molecular Weight285.24 g/mol
Exact Mass285.08
IUPAC Name1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H11F4NO/c1-19-7-8-5-10(16)14(11(17)6-8)20-12-4-2-3-9(15)13(12)18/h2-6,19H,7H2,1H3
InChIKeyKRWFIXHULJWXLA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 55146406
5-(bromomethyl)-2-(2,3-difluorophenoxy)-1,3-difluorobenzene
CID 107088431
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
2-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802666
1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
CID 63076148
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1-[4-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686784
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine (CID 63077723) is 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine is CNCc1cc(F)c(Oc2cccc(F)c2F)c(F)c1.
What is the InChIKey of 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine?
The InChIKey is KRWFIXHULJWXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO/c1-19-7-8-5-10(16)14(11(17)6-8)20-12-4-2-3-9(15)13(12)18/h2-6,19H,7H2,1H3.
What are the key properties of 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine?
1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine has a molecular weight of 285.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-difluorophenoxy)-3,5-difluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 63077723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).