2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine

C10H13ClFNOS — CID 112655110

IUPAC2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESCC(CN)S(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNOS/c1-7(5-13)15(14)6-8-3-2-4-9(12)10(8)11/h2-4,7H,5-6,13H2,1H3
InChIKeyRURGGEHKHOWJIN-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.08
Rot. Bonds4

About 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine

2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine (PubChem CID 112655110) has the molecular formula C10H13ClFNOS and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine
PubChem CID112655110
Molecular FormulaC10H13ClFNOS
Molecular Weight249.74 g/mol
Exact Mass249.04
IUPAC Name2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine
SMILESCC(CN)S(=O)Cc1cccc(F)c1Cl
InChIInChI=1S/C10H13ClFNOS/c1-7(5-13)15(14)6-8-3-2-4-9(12)10(8)11/h2-4,7H,5-6,13H2,1H3
InChIKeyRURGGEHKHOWJIN-UHFFFAOYSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylsulfinylbutan-1-amine
CID 113490461
3-(aminomethyl)-1-(2-chloro-3-fluorophenyl)pentan-2-one
CID 116575236
1-(bromomethyl)-2-chloro-3-fluorobenzene
CID 44782644
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
4-chloro-3-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655124
4-chloro-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655093
6-(2-chloro-3-fluorophenyl)-2-methylhexan-3-amine
CID 112654544
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
2-(2-fluorophenyl)sulfinylpropan-1-amine
CID 81328823
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine (CID 112655110) is 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine is CC(CN)S(=O)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine?
The InChIKey is RURGGEHKHOWJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNOS/c1-7(5-13)15(14)6-8-3-2-4-9(12)10(8)11/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine?
2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine has a molecular weight of 249.74 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 112655110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).