1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol

C16H23F2NO3S — CID 111543944

IUPAC1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
SMILESCN(CC(O)c1c(F)cccc1F)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H23F2NO3S/c1-19(13-8-3-4-9-15(13)23(2,21)22)10-14(20)16-11(17)6-5-7-12(16)18/h5-7,13-15,20H,3-4,8-10H2,1-2H3
InChIKeyNHHALYRNJJMEBS-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.29
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol

1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol (PubChem CID 111543944) has the molecular formula C16H23F2NO3S and a molecular weight of 347.43 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
PubChem CID111543944
Molecular FormulaC16H23F2NO3S
Molecular Weight347.43 g/mol
Exact Mass347.14
IUPAC Name1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol
SMILESCN(CC(O)c1c(F)cccc1F)C1CCCCC1S(C)(=O)=O
InChIInChI=1S/C16H23F2NO3S/c1-19(13-8-3-4-9-15(13)23(2,21)22)10-14(20)16-11(17)6-5-7-12(16)18/h5-7,13-15,20H,3-4,8-10H2,1-2H3
InChIKeyNHHALYRNJJMEBS-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 110897812
(E)-3-(3-fluorophenyl)-N-methyl-N-(2-methylsulfonylcyclohexyl)prop-2-enamide
CID 75407723
trans-(1S,2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 96567808
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317
cis-(1S,2R)-N-[(2-fluoro-4-nitrophenyl)methyl]-N-methyl-2-methylsulfonylcyclohexan-1-amine
CID 124840904
methyl 2-[[methyl-[(1R,2R)-2-methylsulfonylcyclohexyl]amino]methyl]benzoate
CID 124776937
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 129427598
cis-(1S,2R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129421973
N-[(3-methoxyphenyl)methyl]-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 75386810
1-(2,6-difluorophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 111113593
(1S)-1-[2-[cyclohexyl(methyl)amino]-6-fluorophenyl]ethanol
CID 78939265
cis-(1S,2R)-N-methyl-2-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]cyclopentan-1-amine
CID 129423562

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol (CID 111543944) is 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol is CN(CC(O)c1c(F)cccc1F)C1CCCCC1S(C)(=O)=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol?
The InChIKey is NHHALYRNJJMEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO3S/c1-19(13-8-3-4-9-15(13)23(2,21)22)10-14(20)16-11(17)6-5-7-12(16)18/h5-7,13-15,20H,3-4,8-10H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol?
1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol has a molecular weight of 347.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[methyl-(2-methylsulfonylcyclohexyl)amino]ethanol is sourced from PubChem (CID 111543944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).