1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine

C16H17F2NO — CID 114930058

IUPAC1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-11(19-2)12-5-3-6-13(9-12)20-10-14-15(17)7-4-8-16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyGPNPPUZNUSOYAF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.82
Rot. Bonds5

About 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine

1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine (PubChem CID 114930058) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
PubChem CID114930058
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2NO/c1-11(19-2)12-5-3-6-13(9-12)20-10-14-15(17)7-4-8-16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyGPNPPUZNUSOYAF-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 60883271
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-N-methylethanamine
CID 61482062
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
N-methyl-2-[3-[1-(methylamino)ethyl]phenoxy]acetamide
CID 43279883
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
2-methyl-4-[3-[1-(methylamino)ethyl]phenoxy]butan-2-ol
CID 79360997

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine (CID 114930058) is 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine is CNC(C)c1cccc(OCc2c(F)cccc2F)c1.
What is the InChIKey of 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine?
The InChIKey is GPNPPUZNUSOYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(19-2)12-5-3-6-13(9-12)20-10-14-15(17)7-4-8-16(14)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine?
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine is sourced from PubChem (CID 114930058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).