1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine

C18H22FNO — CID 105370352

IUPAC1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1cc(F)ccc1C
InChIInChI=1S/C18H22FNO/c1-12-5-8-17(14(3)20-4)18(9-12)21-11-15-10-16(19)7-6-13(15)2/h5-10,14,20H,11H2,1-4H3
InChIKeyUASSMLXHLCGBIU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.30
Rot. Bonds5

About 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine

1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine (PubChem CID 105370352) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
PubChem CID105370352
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C)cc1OCc1cc(F)ccc1C
InChIInChI=1S/C18H22FNO/c1-12-5-8-17(14(3)20-4)18(9-12)21-11-15-10-16(19)7-6-13(15)2/h5-10,14,20H,11H2,1-4H3
InChIKeyUASSMLXHLCGBIU-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63638938
1-[2-[(2,3-difluorophenyl)methoxy]-4-methylphenyl]-N-methylethanamine
CID 63640460
1-[4-fluoro-2-[(2-methoxyphenyl)methoxy]phenyl]-N-methylethanamine
CID 63064797
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
(1S)-1-[2-[(2,5-difluorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947419
1-[2-[(2,5-dimethylphenyl)methoxy]-4-methylphenyl]ethanamine
CID 63641471
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
1-[2-(2,2-difluoroethoxy)-4-fluorophenyl]-N-methylethanamine
CID 63065355
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The IUPAC name of 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine (CID 105370352) is 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine is CNC(C)c1ccc(C)cc1OCc1cc(F)ccc1C.
What is the InChIKey of 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
The InChIKey is UASSMLXHLCGBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-5-8-17(14(3)20-4)18(9-12)21-11-15-10-16(19)7-6-13(15)2/h5-10,14,20H,11H2,1-4H3.
What are the key properties of 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine?
1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-fluoro-2-methylphenyl)methoxy]-4-methylphenyl]-N-methylethanamine is sourced from PubChem (CID 105370352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).