1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

C13H20FNOS — CID 114830845

IUPAC1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC(C)S(C)=O
InChIInChI=1S/C13H20FNOS/c1-10(15-9-11(2)17(3)16)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyNAFSKITUUBJKPF-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.11
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine

1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (PubChem CID 114830845) has the molecular formula C13H20FNOS and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
PubChem CID114830845
Molecular FormulaC13H20FNOS
Molecular Weight257.37 g/mol
Exact Mass257.12
IUPAC Name1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
SMILESCC(Cc1ccccc1F)NCC(C)S(C)=O
InChIInChI=1S/C13H20FNOS/c1-10(15-9-11(2)17(3)16)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyNAFSKITUUBJKPF-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

(2S)-1-(2-methylphenyl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propan-2-amine
CID 97108128
1-(4-chlorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine
CID 103911457
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
N-(cyclopropylmethyl)-1-(2-fluorophenyl)propan-2-amine
CID 115607332
1-(2-fluorophenyl)-N-(2-phenoxyethyl)propan-2-amine
CID 114829606
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
3-[1-(2-fluorophenyl)propan-2-ylamino]propanenitrile
CID 115591783
1-(2-fluorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-2-amine
CID 114830149
3-[1-(2-fluorophenyl)propan-2-ylamino]-N-methylpropanamide
CID 114829658
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-[1-(2-fluorophenyl)propan-2-yl]-2-methoxy-2-methylpropan-1-amine
CID 114830797

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine (CID 114830845) is 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is CC(Cc1ccccc1F)NCC(C)S(C)=O.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
The InChIKey is NAFSKITUUBJKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNOS/c1-10(15-9-11(2)17(3)16)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine?
1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine has a molecular weight of 257.37 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(2-methylsulfinylpropyl)propan-2-amine is sourced from PubChem (CID 114830845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).