1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine

C15H16ClNS — CID 15132120

IUPAC1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
InChIKeyKKCKVAFKRSKQRE-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.55
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine

1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (PubChem CID 15132120) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
PubChem CID15132120
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
InChIKeyKKCKVAFKRSKQRE-UHFFFAOYSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine (CID 15132120) is 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
The InChIKey is KKCKVAFKRSKQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine?
1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine has a molecular weight of 277.82 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15132120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).