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

C16H17F2NO — CID 81396656

IUPAC(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-11(13-7-3-4-9-15(13)20-2)19-10-12-6-5-8-14(17)16(12)18/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyMVDKMTGGZRJPJO-LLVKDONJSA-N
MW277.31 g/mol
LogP3.82
Rot. Bonds5

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

(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81396656) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81396656
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccccc1[C@@H](C)NCc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-11(13-7-3-4-9-15(13)20-2)19-10-12-6-5-8-14(17)16(12)18/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1
InChIKeyMVDKMTGGZRJPJO-LLVKDONJSA-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-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791978
1-(2,3-difluorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 103924687
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
1-(2,4-difluorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 60713896
1-(2,3-difluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 103906175
1-(2,3-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 103878337
N-[(3-chloro-2-fluorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 115695829
2-bromo-6-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81397811
(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
(1S)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 102615853
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376568

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81396656) is (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccccc1[C@@H](C)NCc1cccc(F)c1F.
What is the InChIKey of (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is MVDKMTGGZRJPJO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(13-7-3-4-9-15(13)20-2)19-10-12-6-5-8-14(17)16(12)18/h3-9,11,19H,10H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)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 (1R)-N-[(2,3-difluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81396656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).