1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine

C12H18ClNS — CID 82264654

IUPAC1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine
SMILESCCCSc1ccc(Cl)cc1C(N)CC
InChIInChI=1S/C12H18ClNS/c1-3-7-15-12-6-5-9(13)8-10(12)11(14)4-2/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeyOAEBXWKWELODTF-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.25
Rot. Bonds5

About 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine

1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine (PubChem CID 82264654) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine
PubChem CID82264654
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC Name1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine
SMILESCCCSc1ccc(Cl)cc1C(N)CC
InChIInChI=1S/C12H18ClNS/c1-3-7-15-12-6-5-9(13)8-10(12)11(14)4-2/h5-6,8,11H,3-4,7,14H2,1-2H3
InChIKeyOAEBXWKWELODTF-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine?
The IUPAC name of 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine (CID 82264654) is 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine is CCCSc1ccc(Cl)cc1C(N)CC.
What is the InChIKey of 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine?
The InChIKey is OAEBXWKWELODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-3-7-15-12-6-5-9(13)8-10(12)11(14)4-2/h5-6,8,11H,3-4,7,14H2,1-2H3.
What are the key properties of 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine?
1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 82264654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).