1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

C17H20FNO — CID 43485624

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H20FNO/c1-12-4-6-13(7-5-12)10-16(19-2)15-11-14(18)8-9-17(15)20-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyGXTNQXRQWCDQIB-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.65
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (PubChem CID 43485624) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
PubChem CID43485624
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
SMILESCNC(Cc1ccc(C)cc1)c1cc(F)ccc1OC
InChIInChI=1S/C17H20FNO/c1-12-4-6-13(7-5-12)10-16(19-2)15-11-14(18)8-9-17(15)20-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyGXTNQXRQWCDQIB-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

2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
2-(4-bromophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 43485689
2-(3-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 43626286
2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115864110
2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 62605096
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 82771709
1-(5-bromo-4-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 103394564
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863
2-(5-fluoro-2-methoxyphenyl)-3-(4-methylphenyl)propan-1-amine
CID 82139339
2-(3-bromo-4-methoxyphenyl)-1-(2,5-difluorophenyl)-N-methylethanamine
CID 63673603
2-(3-fluoro-4-methoxyphenyl)-1-(2-fluoro-4-methylphenyl)-N-methylethanamine
CID 115829524

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine (CID 43485624) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is CNC(Cc1ccc(C)cc1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
The InChIKey is GXTNQXRQWCDQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-12-4-6-13(7-5-12)10-16(19-2)15-11-14(18)8-9-17(15)20-3/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine 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-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(4-methylphenyl)ethanamine is sourced from PubChem (CID 43485624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).