N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine

C13H20FNOS — CID 113261405

IUPACN-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCS(=O)CCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNOS/c1-3-17(16)8-7-15-11(2)9-12-5-4-6-13(14)10-12/h4-6,10-11,15H,3,7-9H2,1-2H3
InChIKeyYIFIPUDUPYTMAQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.11
Rot. Bonds7

About N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine

N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine (PubChem CID 113261405) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
PubChem CID113261405
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC NameN-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
SMILESCCS(=O)CCNC(C)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNOS/c1-3-17(16)8-7-15-11(2)9-12-5-4-6-13(14)10-12/h4-6,10-11,15H,3,7-9H2,1-2H3
InChIKeyYIFIPUDUPYTMAQ-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[1-(3-fluorophenyl)propan-2-yl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719668
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
(2S)-N-[2-[(3-fluorophenyl)methylsulfonyl]ethyl]butan-2-amine
CID 73053478

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine (CID 113261405) is N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine is CCS(=O)CCNC(C)Cc1cccc(F)c1.
What is the InChIKey of N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is YIFIPUDUPYTMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-3-17(16)8-7-15-11(2)9-12-5-4-6-13(14)10-12/h4-6,10-11,15H,3,7-9H2,1-2H3.
What are the key properties of N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine?
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 257.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 113261405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).