1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine

C18H22FNO — CID 106881379

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FNO/c1-12-9-13(2)18(15(19)10-12)16(20-3)11-14-7-5-6-8-17(14)21-4/h5-10,16,20H,11H2,1-4H3
InChIKeyMWNWOWULEYQKBF-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.95
Rot. Bonds5

About 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine

1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine (PubChem CID 106881379) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
PubChem CID106881379
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1OC)c1c(C)cc(C)cc1F
InChIInChI=1S/C18H22FNO/c1-12-9-13(2)18(15(19)10-12)16(20-3)11-14-7-5-6-8-17(14)21-4/h5-10,16,20H,11H2,1-4H3
InChIKeyMWNWOWULEYQKBF-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
2-(2-fluorophenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 43484269
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066484
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methylphenyl)ethanamine
CID 106881412
1-(4-methoxy-2-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43482757
2-(3,5-difluorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881394
2-(3-chlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881297

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine (CID 106881379) is 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccccc1OC)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
The InChIKey is MWNWOWULEYQKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12-9-13(2)18(15(19)10-12)16(20-3)11-14-7-5-6-8-17(14)21-4/h5-10,16,20H,11H2,1-4H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine?
1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 106881379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).