N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

C13H20FNO2S — CID 115968243

IUPACN-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCc1ccc(F)cc1CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)18(4,16)17/h5-7,15H,8-9H2,1-4H3
InChIKeyWYWAGBJXVKVEEH-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.05
Rot. Bonds5

About N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 115968243) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID115968243
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCc1ccc(F)cc1CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H20FNO2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)18(4,16)17/h5-7,15H,8-9H2,1-4H3
InChIKeyWYWAGBJXVKVEEH-UHFFFAOYSA-N
XLogP2.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 115968130
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115968232
3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 104857334
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 103816354
3-fluoro-4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]benzamide
CID 79552109
4-tert-butyl-N-[(5-fluoro-2-methylphenyl)methyl]benzenesulfonamide
CID 3673716
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(3,5-dimethylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79551848
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 115968243) is N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is Cc1ccc(F)cc1CNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is WYWAGBJXVKVEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-10-5-6-12(14)7-11(10)8-15-9-13(2,3)18(4,16)17/h5-7,15H,8-9H2,1-4H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 115968243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).