1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine

C16H18FNO2S — CID 115852484

IUPAC1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
SMILESCNC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H18FNO2S/c1-11-9-13(17)7-8-15(11)16(18-2)12-5-4-6-14(10-12)21(3,19)20/h4-10,16,18H,1-3H3
InChIKeyZRVJQSDGDHMCEV-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.85
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine

1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine (PubChem CID 115852484) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
PubChem CID115852484
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine
SMILESCNC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1C
InChIInChI=1S/C16H18FNO2S/c1-11-9-13(17)7-8-15(11)16(18-2)12-5-4-6-14(10-12)21(3,19)20/h4-10,16,18H,1-3H3
InChIKeyZRVJQSDGDHMCEV-UHFFFAOYSA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105302391
[(5-fluoro-2-methylphenyl)-(3-methylsulfonylphenyl)methyl]hydrazine
CID 105302119
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460
1-(3-ethoxyphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62790676
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852431
1-(3-fluorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989689
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
[(4-fluoro-2-methylphenyl)-(3-fluorophenyl)methyl]hydrazine
CID 105192975
N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
CID 115854901
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine (CID 115852484) is 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine is CNC(c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine?
The InChIKey is ZRVJQSDGDHMCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-11-9-13(17)7-8-15(11)16(18-2)12-5-4-6-14(10-12)21(3,19)20/h4-10,16,18H,1-3H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine?
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine has a molecular weight of 307.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-methyl-1-(3-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 115852484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).