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

C14H12F3NO — CID 55112432

IUPAC1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyBMHHHCGTNIBKJI-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.62
Rot. Bonds4

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

1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 55112432) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
PubChem CID55112432
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(Oc2cc(F)cc(F)c2)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3
InChIKeyBMHHHCGTNIBKJI-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3,5-dichlorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43622080
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
1-[4-(3-tert-butylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283755
1-[4-(3-bromo-5-fluorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81331494
1-[3-fluoro-4-(2,4,5-trichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282453
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
N-[[4-(3-bromo-5-fluorophenoxy)-3-fluorophenyl]methyl]propan-2-amine
CID 81315502
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
1-[4-(4-chloro-2-methylphenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 43283411
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
1-[4-(3,4-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 55039981

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine (CID 55112432) is 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(Oc2cc(F)cc(F)c2)c(F)c1.
What is the InChIKey of 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is BMHHHCGTNIBKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-18-8-9-2-3-14(13(17)4-9)19-12-6-10(15)5-11(16)7-12/h2-7,18H,8H2,1H3.
What are the key properties of 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 267.25 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 55112432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).