1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

C16H17F2NO — CID 60923656

IUPAC1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-11-14-6-3-2-5-12(14)9-19-10-13-7-4-8-15(17)16(13)18/h2-8,19H,9-11H2,1H3
InChIKeySICGDMCKRXTKOY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.40
Rot. Bonds6

About 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine

1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (PubChem CID 60923656) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
PubChem CID60923656
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
SMILESCOCc1ccccc1CNCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-11-14-6-3-2-5-12(14)9-19-10-13-7-4-8-15(17)16(13)18/h2-8,19H,9-11H2,1H3
InChIKeySICGDMCKRXTKOY-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 62121979
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
N-[[2-(methoxymethyl)phenyl]methyl]-1-(2-methylphenyl)methanamine
CID 60744139
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
N-[(2,3-difluorophenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434288
3-fluoro-4-[[[2-(methoxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 60924442
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 60744138
1-(4-ethylphenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60743821
N'-[(2,3-difluorophenyl)methyl]-N-propylpropane-1,3-diamine
CID 113410212
N-[[2-(methoxymethyl)phenyl]methyl]-1-pyridin-4-ylmethanamine
CID 60744303

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine (CID 60923656) is 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is COCc1ccccc1CNCc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
The InChIKey is SICGDMCKRXTKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-20-11-14-6-3-2-5-12(14)9-19-10-13-7-4-8-15(17)16(13)18/h2-8,19H,9-11H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine?
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine has a molecular weight of 277.31 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 60923656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).