1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine

C11H16ClNOS — CID 105141041

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(Cl)cc1C(N)CCSC
InChIInChI=1S/C11H16ClNOS/c1-14-11-4-3-8(12)7-9(11)10(13)5-6-15-2/h3-4,7,10H,5-6,13H2,1-2H3
InChIKeyASQSNUVYVULXLG-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.10
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine

1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine (PubChem CID 105141041) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
PubChem CID105141041
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine
SMILESCOc1ccc(Cl)cc1C(N)CCSC
InChIInChI=1S/C11H16ClNOS/c1-14-11-4-3-8(12)7-9(11)10(13)5-6-15-2/h3-4,7,10H,5-6,13H2,1-2H3
InChIKeyASQSNUVYVULXLG-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-propan-2-ylphenyl)-3-methylsulfanylpropan-1-amine
CID 116831508
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
1-(5-chloro-2-methoxyphenyl)-3-methylhexan-1-amine
CID 115845367
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
1-(5-chloro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949835

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine (CID 105141041) is 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine is COc1ccc(Cl)cc1C(N)CCSC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
The InChIKey is ASQSNUVYVULXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-14-11-4-3-8(12)7-9(11)10(13)5-6-15-2/h3-4,7,10H,5-6,13H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine?
1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine has a molecular weight of 245.78 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 105141041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).