4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine

C16H26FNO2S — CID 62514756

IUPAC4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCS(=O)(=O)CCC(CNC(C)C)Cc1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-4-21(19,20)10-9-14(12-18-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyARTDPVHGLOTGSW-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.81
Rot. Bonds9

About 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine

4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 62514756) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID62514756
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC Name4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCS(=O)(=O)CCC(CNC(C)C)Cc1ccccc1F
InChIInChI=1S/C16H26FNO2S/c1-4-21(19,20)10-9-14(12-18-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyARTDPVHGLOTGSW-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-ethylsulfonyl-2-[(2-fluorophenyl)methyl]pentan-1-amine
CID 65097228
2-(ethoxymethyl)-3-(2-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 103984394
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-benzyl-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097173
2-[(2-chloro-3-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 112654146
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
2-[(2-fluorophenyl)methyl]-N-propan-2-yl-3-thiophen-3-ylpropan-1-amine
CID 62514400
2-(2-fluorophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730224
[5-ethylsulfonyl-1-(2-fluorophenyl)pentan-2-yl]hydrazine
CID 105206869
2-[(2-bromophenyl)methyl]-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 62515117
2-[(2-chlorophenyl)methyl]-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 63195694
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 62514756) is 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine is CCS(=O)(=O)CCC(CNC(C)C)Cc1ccccc1F.
What is the InChIKey of 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is ARTDPVHGLOTGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-4-21(19,20)10-9-14(12-18-13(2)3)11-15-7-5-6-8-16(15)17/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 315.45 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-[(2-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62514756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).