N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine

C14H22FNO2S — CID 63192315

IUPACN-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-3-16-14(8-5-9-19(2,17)18)11-12-6-4-7-13(15)10-12/h4,6-7,10,14,16H,3,5,8-9,11H2,1-2H3
InChIKeyLVHJEYOGIMEQAX-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.17
Rot. Bonds8

About N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine

N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine (PubChem CID 63192315) has the molecular formula C14H22FNO2S and a molecular weight of 287.40 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
PubChem CID63192315
Molecular FormulaC14H22FNO2S
Molecular Weight287.40 g/mol
Exact Mass287.14
IUPAC NameN-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine
SMILESCCNC(CCCS(C)(=O)=O)Cc1cccc(F)c1
InChIInChI=1S/C14H22FNO2S/c1-3-16-14(8-5-9-19(2,17)18)11-12-6-4-7-13(15)10-12/h4,6-7,10,14,16H,3,5,8-9,11H2,1-2H3
InChIKeyLVHJEYOGIMEQAX-UHFFFAOYSA-N
XLogP2.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
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1-(3-bromophenyl)-N-methyl-5-methylsulfonylpentan-2-amine
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1-(3-bromo-5-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 79699790
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine (CID 63192315) is N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine is CCNC(CCCS(C)(=O)=O)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine?
The InChIKey is LVHJEYOGIMEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2S/c1-3-16-14(8-5-9-19(2,17)18)11-12-6-4-7-13(15)10-12/h4,6-7,10,14,16H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine?
N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-5-methylsulfonylpentan-2-amine is sourced from PubChem (CID 63192315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).