1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine

C16H17F2NO2 — CID 43481181

IUPAC1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO2/c1-19-16(15-11(17)5-4-6-12(15)18)10-7-8-13(20-2)14(9-10)21-3/h4-9,16,19H,1-3H3
InChIKeyNLCYSVKWQAPYFO-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.29
Rot. Bonds5

About 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine

1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 43481181) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID43481181
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(OC)c1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2NO2/c1-19-16(15-11(17)5-4-6-12(15)18)10-7-8-13(20-2)14(9-10)21-3/h4-9,16,19H,1-3H3
InChIKeyNLCYSVKWQAPYFO-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-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 62919545
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1,3-difluorobenzene
CID 61081731
[(2-chloro-6-fluorophenyl)-(3,4-dimethoxyphenyl)methyl]hydrazine
CID 105301084
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
1-(4-chloro-3-methoxyphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 105006971
1-(1,3-dihydro-2-benzofuran-5-yl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434782
1-(3-fluoro-4-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81288273
1-(4-ethylphenyl)-1-(2-fluoro-6-methoxyphenyl)-N-methylmethanamine
CID 65434197
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481161
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine (CID 43481181) is 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(OC)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is NLCYSVKWQAPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-19-16(15-11(17)5-4-6-12(15)18)10-7-8-13(20-2)14(9-10)21-3/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine?
1-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-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-(2,6-difluorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).