1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine

C17H20FNO — CID 81477959

IUPAC1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-12-5-4-6-15(17(12)18)16(19-2)11-13-7-9-14(20-3)10-8-13/h4-10,16,19H,11H2,1-3H3
InChIKeyMGUNSLKFJKHQKY-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 81477959) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID81477959
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1cccc(C)c1F
InChIInChI=1S/C17H20FNO/c1-12-5-4-6-15(17(12)18)16(19-2)11-13-7-9-14(20-3)10-8-13/h4-10,16,19H,11H2,1-3H3
InChIKeyMGUNSLKFJKHQKY-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61065172
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43482745
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 81477959) is 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is MGUNSLKFJKHQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-5-4-6-15(17(12)18)16(19-2)11-13-7-9-14(20-3)10-8-13/h4-10,16,19H,11H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 273.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81477959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).