1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

C16H17F2N — CID 81477481

IUPAC1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(C)c1F
InChIInChI=1S/C16H17F2N/c1-10-5-4-6-13(15(10)18)16(19-3)12-7-8-14(17)11(2)9-12/h4-9,16,19H,1-3H3
InChIKeyRZCSVYFRSWAOBW-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine

1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 81477481) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID81477481
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C)c1)c1cccc(C)c1F
InChIInChI=1S/C16H17F2N/c1-10-5-4-6-13(15(10)18)16(19-3)12-7-8-14(17)11(2)9-12/h4-9,16,19H,1-3H3
InChIKeyRZCSVYFRSWAOBW-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
[(2,3-difluorophenyl)-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 105204059
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81479731
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
1-(2-fluoro-3-methoxyphenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 82792923
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine (CID 81477481) is 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(C)c1)c1cccc(C)c1F.
What is the InChIKey of 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is RZCSVYFRSWAOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-10-5-4-6-13(15(10)18)16(19-3)12-7-8-14(17)11(2)9-12/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 81477481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).