2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine

C15H24FNO2S — CID 79440058

IUPAC2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(CCCS(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-12(2)17-11-14(7-5-9-20(3,18)19)13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,5,7,9,11H2,1-3H3
InChIKeyUKEAOAJYLZEECX-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.73
Rot. Bonds8

About 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine

2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine (PubChem CID 79440058) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
PubChem CID79440058
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC Name2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(CCCS(C)(=O)=O)c1cccc(F)c1
InChIInChI=1S/C15H24FNO2S/c1-12(2)17-11-14(7-5-9-20(3,18)19)13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,5,7,9,11H2,1-3H3
InChIKeyUKEAOAJYLZEECX-UHFFFAOYSA-N
XLogP2.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79441196
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
2-(3-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79440305
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
CID 63192315
4-ethylsulfonyl-1-(3-fluorophenyl)-N-propylbutan-1-amine
CID 65095394
5-ethylsulfonyl-2-(2-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 79434387
2-(3-bromophenyl)-N-propan-2-yl-4-propylsulfonylbutan-1-amine
CID 106730210
1-(3-fluorophenyl)sulfanyl-5-methylsulfonylpentan-2-ol
CID 66073097

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine (CID 79440058) is 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine is CC(C)NCC(CCCS(C)(=O)=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine?
The InChIKey is UKEAOAJYLZEECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-12(2)17-11-14(7-5-9-20(3,18)19)13-6-4-8-15(16)10-13/h4,6,8,10,12,14,17H,5,7,9,11H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine?
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine has a molecular weight of 301.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79440058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).