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

C17H20FNO2 — CID 81288682

IUPAC1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-19-16(10-12-4-7-14(20-2)8-5-12)13-6-9-15(18)17(11-13)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyMMMGUJQJBSGXTK-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.35
Rot. Bonds6

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

1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 81288682) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID81288682
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccc(F)c(OC)c1
InChIInChI=1S/C17H20FNO2/c1-19-16(10-12-4-7-14(20-2)8-5-12)13-6-9-15(18)17(11-13)21-3/h4-9,11,16,19H,10H2,1-3H3
InChIKeyMMMGUJQJBSGXTK-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
4-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-fluoro-2-methoxybenzene
CID 81284823
1-(3,4-difluorophenyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 62602257
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(3-bromo-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 115818343
2-(3-bromo-4-fluorophenyl)-1-(3-bromo-4-methoxyphenyl)-N-methylethanamine
CID 115818823
2-(4-fluorophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799315

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 81288682) is 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is MMMGUJQJBSGXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19-16(10-12-4-7-14(20-2)8-5-12)13-6-9-15(18)17(11-13)21-3/h4-9,11,16,19H,10H2,1-3H3.
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 81288682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).