1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine

C11H15ClFNS — CID 102857603

IUPAC1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNS/c1-2-15-7-9(14)6-8-4-3-5-10(12)11(8)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyDLNHTYHOAGLAPG-UHFFFAOYSA-N
MW247.77 g/mol
LogP3.10
Rot. Bonds5

About 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine

1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine (PubChem CID 102857603) has the molecular formula C11H15ClFNS and a molecular weight of 247.77 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
PubChem CID102857603
Molecular FormulaC11H15ClFNS
Molecular Weight247.77 g/mol
Exact Mass247.06
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C11H15ClFNS/c1-2-15-7-9(14)6-8-4-3-5-10(12)11(8)13/h3-5,9H,2,6-7,14H2,1H3
InChIKeyDLNHTYHOAGLAPG-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
1-(3-chloro-2-fluorophenyl)octan-2-amine
CID 82806578
1-(3-chloro-2-fluorophenyl)dodecan-2-amine
CID 82789502
1-(3-chloro-2-fluorophenyl)-3-ethoxypropan-2-amine
CID 82805550
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(3-chloro-2-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 102867071
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(3-chloro-2-fluorophenyl)-5-ethylsulfonylpentan-2-amine
CID 82805447
1-(3-chloro-2-fluorophenyl)-5-methoxyhexan-2-amine
CID 102866354
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine (CID 102857603) is 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine is CCSCC(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
The InChIKey is DLNHTYHOAGLAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNS/c1-2-15-7-9(14)6-8-4-3-5-10(12)11(8)13/h3-5,9H,2,6-7,14H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine?
1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine has a molecular weight of 247.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 102857603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).