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

C16H18FNO2S — CID 107130126

IUPAC1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FNO2S/c1-11-4-5-13(10-15(11)17)16(18-2)12-6-8-14(9-7-12)21(3,19)20/h4-10,16,18H,1-3H3
InChIKeyIEYPUVHGYAUYFL-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.85
Rot. Bonds4

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

1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine (PubChem CID 107130126) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
PubChem CID107130126
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC Name1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
SMILESCNC(c1ccc(S(C)(=O)=O)cc1)c1ccc(C)c(F)c1
InChIInChI=1S/C16H18FNO2S/c1-11-4-5-13(10-15(11)17)16(18-2)12-6-8-14(9-7-12)21(3,19)20/h4-10,16,18H,1-3H3
InChIKeyIEYPUVHGYAUYFL-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

1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine
CID 43480214
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
N-methyl-1-(4-methylsulfonylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991282
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 43484259
1-(3-chloro-5-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130082
N-methyl-1-(4-methylsulfonylphenyl)-1-(3-methylthiophen-2-yl)methanamine
CID 55007057
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(2-fluoro-4-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130367
1-(5-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130085
3-fluoro-4-methyl-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 60532718
1-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107130127

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine (CID 107130126) is 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine is CNC(c1ccc(S(C)(=O)=O)cc1)c1ccc(C)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
The InChIKey is IEYPUVHGYAUYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-11-4-5-13(10-15(11)17)16(18-2)12-6-8-14(9-7-12)21(3,19)20/h4-10,16,18H,1-3H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine?
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-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-(3-fluoro-4-methylphenyl)-N-methyl-1-(4-methylsulfonylphenyl)methanamine is sourced from PubChem (CID 107130126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).