1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

C16H18FNO — CID 61065172

IUPAC1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-18-16(14-5-3-4-6-15(14)17)11-12-7-9-13(19-2)10-8-12/h3-10,16,18H,11H2,1-2H3
InChIKeyRASXTRZTOPUOFZ-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 61065172) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID61065172
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccccc1F
InChIInChI=1S/C16H18FNO/c1-18-16(14-5-3-4-6-15(14)17)11-12-7-9-13(19-2)10-8-12/h3-10,16,18H,11H2,1-2H3
InChIKeyRASXTRZTOPUOFZ-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
1-(2-fluorophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 61078359
1-(2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63083908
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
2-(4-fluorophenyl)-N-methyl-1-naphthalen-1-ylethanamine
CID 61065371

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 61065172) is 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is RASXTRZTOPUOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-18-16(14-5-3-4-6-15(14)17)11-12-7-9-13(19-2)10-8-12/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 259.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 61065172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).