1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine

C16H17F2NO — CID 103878320

IUPAC1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-11(14-7-4-8-15(17)16(14)18)19-10-12-5-3-6-13(9-12)20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyYNKFXDYJGIMJSD-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.82
Rot. Bonds5

About 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine

1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (PubChem CID 103878320) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
PubChem CID103878320
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
SMILESCOc1cccc(CNC(C)c2cccc(F)c2F)c1
InChIInChI=1S/C16H17F2NO/c1-11(14-7-4-8-15(17)16(14)18)19-10-12-5-3-6-13(9-12)20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyYNKFXDYJGIMJSD-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

3-fluoro-4-[1-[(3-methoxyphenyl)methylamino]ethyl]phenol
CID 107714930
1-(2-fluorophenyl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60955260
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
2-[3-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81363735
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568
3-[[1-(2-fluoro-4-methoxyphenyl)ethylamino]methyl]benzonitrile
CID 60918789
N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 22391318

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine (CID 103878320) is 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is COc1cccc(CNC(C)c2cccc(F)c2F)c1.
What is the InChIKey of 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is YNKFXDYJGIMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(14-7-4-8-15(17)16(14)18)19-10-12-5-3-6-13(9-12)20-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine?
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine 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-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 103878320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).