N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine

C14H18FN3O2S — CID 86791784

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
SMILESCN(CCn1ccnc1S(C)(=O)=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S/c1-17(11-12-3-5-13(15)6-4-12)9-10-18-8-7-16-14(18)21(2,19)20/h3-8H,9-11H2,1-2H3
InChIKeyFEUVHYVNGGCYLS-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.56
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine

N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine (PubChem CID 86791784) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
PubChem CID86791784
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine
SMILESCN(CCn1ccnc1S(C)(=O)=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H18FN3O2S/c1-17(11-12-3-5-13(15)6-4-12)9-10-18-8-7-16-14(18)21(2,19)20/h3-8H,9-11H2,1-2H3
InChIKeyFEUVHYVNGGCYLS-UHFFFAOYSA-N
XLogP1.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine (CID 86791784) is N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine is CN(CCn1ccnc1S(C)(=O)=O)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine?
The InChIKey is FEUVHYVNGGCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2S/c1-17(11-12-3-5-13(15)6-4-12)9-10-18-8-7-16-14(18)21(2,19)20/h3-8H,9-11H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine has a molecular weight of 311.38 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylsulfonylimidazol-1-yl)ethanamine is sourced from PubChem (CID 86791784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).