1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine

C17H19F2NO — CID 63640460

IUPAC1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11-7-8-14(12(2)20-3)16(9-11)21-10-13-5-4-6-15(18)17(13)19/h4-9,12,20H,10H2,1-3H3
InChIKeyZJCHUIGMTZBJSD-UHFFFAOYSA-N
MW291.34 g/mol
LogP4.13
Rot. Bonds5

About 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine

1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine (PubChem CID 63640460) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
PubChem CID63640460
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1cccc(F)c1F
InChIInChI=1S/C17H19F2NO/c1-11-7-8-14(12(2)20-3)16(9-11)21-10-13-5-4-6-15(18)17(13)19/h4-9,12,20H,10H2,1-3H3
InChIKeyZJCHUIGMTZBJSD-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 105370352
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
1-[2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 104791282
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
[2-fluoro-3-[(2-fluoro-5-methylphenoxy)methyl]phenyl]methanamine
CID 107114161
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine (CID 63640460) is 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine is CNC(C)c1ccc(C)cc1OCc1cccc(F)c1F.
What is the InChIKey of 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The InChIKey is ZJCHUIGMTZBJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-11-7-8-14(12(2)20-3)16(9-11)21-10-13-5-4-6-15(18)17(13)19/h4-9,12,20H,10H2,1-3H3.
What are the key properties of 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine has a molecular weight of 291.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 63640460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).