1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

C16H17F2NO2 — CID 81288273

IUPAC1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H17F2NO2/c1-19-16(10-5-7-14(20-2)13(18)8-10)11-4-6-12(17)15(9-11)21-3/h4-9,16,19H,1-3H3
InChIKeyHMJQLUPYXBSNHW-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.29
Rot. Bonds5

About 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine

1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (PubChem CID 81288273) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
PubChem CID81288273
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(F)c1)c1ccc(F)c(OC)c1
InChIInChI=1S/C16H17F2NO2/c1-19-16(10-5-7-14(20-2)13(18)8-10)11-4-6-12(17)15(9-11)21-3/h4-9,16,19H,1-3H3
InChIKeyHMJQLUPYXBSNHW-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854824
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-pyridazin-4-ylmethanamine
CID 105144593
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine (CID 81288273) is 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(F)c1)c1ccc(F)c(OC)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
The InChIKey is HMJQLUPYXBSNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-16(10-5-7-14(20-2)13(18)8-10)11-4-6-12(17)15(9-11)21-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine?
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 81288273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).