1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine

C16H17F2NO — CID 114345853

IUPAC1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(OCc2ccc(F)cc2C)c1
InChIInChI=1S/C16H17F2NO/c1-11-5-14(17)4-3-13(11)10-20-16-7-12(9-19-2)6-15(18)8-16/h3-8,19H,9-10H2,1-2H3
InChIKeyACBQASNHOFIAOH-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.57
Rot. Bonds5

About 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine

1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 114345853) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
PubChem CID114345853
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(OCc2ccc(F)cc2C)c1
InChIInChI=1S/C16H17F2NO/c1-11-5-14(17)4-3-13(11)10-20-16-7-12(9-19-2)6-15(18)8-16/h3-8,19H,9-10H2,1-2H3
InChIKeyACBQASNHOFIAOH-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[[3-fluoro-5-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 107902757
1-[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 114345835
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-bromo-4-[(4-fluoro-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 102773941
3-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 114348434
1-[3,5-dibromo-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741857
N-methyl-1-[3-[(2-methylphenyl)methoxy]phenyl]methanamine
CID 19744687
1-[4-fluoro-3-[(4-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107457393
1-[5-[(3,5-difluorophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62783791
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanol
CID 104894080
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
(1R)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 104894045

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine (CID 114345853) is 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine is CNCc1cc(F)cc(OCc2ccc(F)cc2C)c1.
What is the InChIKey of 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is ACBQASNHOFIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-5-14(17)4-3-13(11)10-20-16-7-12(9-19-2)6-15(18)8-16/h3-8,19H,9-10H2,1-2H3.
What are the key properties of 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine?
1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 114345853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).