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

C14H12F3NO — CID 106531306

IUPAC1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F3NO/c1-18-8-9-4-11(16)6-12(5-9)19-14-7-10(15)2-3-13(14)17/h2-7,18H,8H2,1H3
InChIKeyRLQBFAFGFLQDTD-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.62
Rot. Bonds4

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

1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531306) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531306
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F3NO/c1-18-8-9-4-11(16)6-12(5-9)19-14-7-10(15)2-3-13(14)17/h2-7,18H,8H2,1H3
InChIKeyRLQBFAFGFLQDTD-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-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
N-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106531281
1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345853
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine (CID 106531306) is 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2cc(F)ccc2F)c1.
What is the InChIKey of 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is RLQBFAFGFLQDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-18-8-9-4-11(16)6-12(5-9)19-14-7-10(15)2-3-13(14)17/h2-7,18H,8H2,1H3.
What are the key properties of 1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(2,5-difluorophenoxy)-5-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-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).