1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine

C15H15F2NO — CID 82811445

IUPAC1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2F)ccc1F
InChIInChI=1S/C15H15F2NO/c1-18-9-11-8-10(6-7-13(11)16)12-4-3-5-14(19-2)15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyMCQSDLIRLNJGBS-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine

1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine (PubChem CID 82811445) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
PubChem CID82811445
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2cccc(OC)c2F)ccc1F
InChIInChI=1S/C15H15F2NO/c1-18-9-11-8-10(6-7-13(11)16)12-4-3-5-14(19-2)15(12)17/h3-8,18H,9H2,1-2H3
InChIKeyMCQSDLIRLNJGBS-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 107514112
1-[4-(2-fluoro-3-methoxyphenyl)thiophen-2-yl]-N-methylmethanamine
CID 82810883
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
N-[[5-(2,6-dimethoxyphenyl)-2-fluorophenyl]methyl]ethanamine
CID 116810961
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
1-[5-(2-chloro-5-fluorophenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 105395772
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 82795419
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670200
N-[[4-(2-fluoro-3-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 82811010
1,2,3-trichloro-5-(2-fluoro-3-methoxyphenyl)benzene
CID 134620248
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine (CID 82811445) is 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine is CNCc1cc(-c2cccc(OC)c2F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine?
The InChIKey is MCQSDLIRLNJGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-18-9-11-8-10(6-7-13(11)16)12-4-3-5-14(19-2)15(12)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine?
1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine has a molecular weight of 263.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2-fluoro-3-methoxyphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82811445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).