1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine

C15H15F2NO — CID 106531321

IUPAC1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-4-14(17)15(5-10)19-13-7-11(9-18-2)6-12(16)8-13/h3-8,18H,9H2,1-2H3
InChIKeyQFOGJZZCPUQWHF-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.78
Rot. Bonds4

About 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine

1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 106531321) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID106531321
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(Oc2cc(C)ccc2F)c1
InChIInChI=1S/C15H15F2NO/c1-10-3-4-14(17)15(5-10)19-13-7-11(9-18-2)6-12(16)8-13/h3-8,18H,9H2,1-2H3
InChIKeyQFOGJZZCPUQWHF-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(2,4-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531214
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106531281
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
3-fluoro-5-(2-fluoro-5-methylphenoxy)benzonitrile
CID 102818151
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[4-(2-fluoro-5-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 64854465

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine (CID 106531321) is 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1cc(F)cc(Oc2cc(C)ccc2F)c1.
What is the InChIKey of 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is QFOGJZZCPUQWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-10-3-4-14(17)15(5-10)19-13-7-11(9-18-2)6-12(16)8-13/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine?
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106531321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).