1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine

C14H21F2NO2S — CID 115900838

IUPAC1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2S/c1-4-20(18,19)9-11(3)17-10(2)8-12-13(15)6-5-7-14(12)16/h5-7,10-11,17H,4,8-9H2,1-3H3
InChIKeyNIPMQKFKPVZVHW-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.31
Rot. Bonds7

About 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine

1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine (PubChem CID 115900838) has the molecular formula C14H21F2NO2S and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
PubChem CID115900838
Molecular FormulaC14H21F2NO2S
Molecular Weight305.39 g/mol
Exact Mass305.13
IUPAC Name1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NC(C)Cc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2S/c1-4-20(18,19)9-11(3)17-10(2)8-12-13(15)6-5-7-14(12)16/h5-7,10-11,17H,4,8-9H2,1-3H3
InChIKeyNIPMQKFKPVZVHW-UHFFFAOYSA-N
XLogP2.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
1,3-bis[(2R)-1-(2,6-difluorophenyl)propan-2-yl]urea
CID 95141541
N-[1-(2,6-difluorophenyl)propan-2-yl]-6,6,6-trifluorohexan-2-amine
CID 116534583
N-(1-ethylsulfonylpropan-2-yl)-2-fluoroaniline
CID 115921635
(2S)-1-ethylsulfonyl-N-[(1R)-1-(3-fluorophenyl)ethyl]propan-2-amine
CID 97070520
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 63450025
N-[1-(2,6-difluorophenyl)propan-2-yl]piperazine-1-sulfonamide
CID 61254311
N-[1-(2,6-difluorophenyl)propan-2-yl]-3-(ethylamino)butanamide
CID 62837413
2-(1-ethylsulfonylpropan-2-ylamino)-6-fluorobenzonitrile
CID 56789855
1-(2,6-difluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-2-amine
CID 54881680
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
CID 55861005
N-[1-(2,6-difluorophenyl)propan-2-yl]prop-2-enamide
CID 60932780

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine (CID 115900838) is 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine is CCS(=O)(=O)CC(C)NC(C)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine?
The InChIKey is NIPMQKFKPVZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2S/c1-4-20(18,19)9-11(3)17-10(2)8-12-13(15)6-5-7-14(12)16/h5-7,10-11,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine?
1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine has a molecular weight of 305.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-2-amine is sourced from PubChem (CID 115900838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).