N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide

C14H22F2N2O2S — CID 61015400

IUPACN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H22F2N2O2S/c1-4-18(21(3,19)20)10-6-9-17-11(2)14-12(15)7-5-8-13(14)16/h5,7-8,11,17H,4,6,9-10H2,1-3H3
InChIKeyVBFRXZCRNUOPFL-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.29
Rot. Bonds8

About N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide

N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide (PubChem CID 61015400) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
PubChem CID61015400
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.40 g/mol
Exact Mass320.14
IUPAC NameN-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
SMILESCCN(CCCNC(C)c1c(F)cccc1F)S(C)(=O)=O
InChIInChI=1S/C14H22F2N2O2S/c1-4-18(21(3,19)20)10-6-9-17-11(2)14-12(15)7-5-8-13(14)16/h5,7-8,11,17H,4,6,9-10H2,1-3H3
InChIKeyVBFRXZCRNUOPFL-UHFFFAOYSA-N
XLogP2.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[3-[1-(4-fluorophenyl)ethylamino]propyl]methanesulfonamide
CID 61014614
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
N-[3-[1-(2,5-dichlorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide
CID 61013535
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
N-ethyl-N-[3-[1-(3-methylthiophen-2-yl)ethylamino]propyl]methanesulfonamide
CID 63993076
N-[3-[ethyl(methylsulfonyl)amino]propyl]-6-fluoropyridine-2-carboxamide
CID 115497535
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-[1-(2,6-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636418
N-[3-[(2-chloro-3-fluorophenyl)methylamino]propyl]-N-ethylmethanesulfonamide
CID 115982817
N-ethyl-N-[3-(1-phenylpropylamino)propyl]methanesulfonamide
CID 61015402
N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
N-ethyl-N-[3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propyl]methanesulfonamide
CID 54903725

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide (CID 61015400) is N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide is CCN(CCCNC(C)c1c(F)cccc1F)S(C)(=O)=O.
What is the InChIKey of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
The InChIKey is VBFRXZCRNUOPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-4-18(21(3,19)20)10-6-9-17-11(2)14-12(15)7-5-8-13(14)16/h5,7-8,11,17H,4,6,9-10H2,1-3H3.
What are the key properties of N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide?
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 61015400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).