1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride

C15H15Cl3FNS — CID 172885506

IUPAC1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-11(18)3-6-15(10)20-12-4-5-13(16)14(17)8-12;/h3-8H,9H2,1-2H3;1H
InChIKeySLGDDHKKMYYRMG-UHFFFAOYSA-N
MW366.72 g/mol
LogP5.77
Rot. Bonds4

About 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride

1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 172885506) has the molecular formula C15H15Cl3FNS and a molecular weight of 366.72 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID172885506
Molecular FormulaC15H15Cl3FNS
Molecular Weight366.72 g/mol
Exact Mass365.00
IUPAC Name1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-11(18)3-6-15(10)20-12-4-5-13(16)14(17)8-12;/h3-8H,9H2,1-2H3;1H
InChIKeySLGDDHKKMYYRMG-UHFFFAOYSA-N
XLogP5.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride (CID 172885506) is 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is SLGDDHKKMYYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-11(18)3-6-15(10)20-12-4-5-13(16)14(17)8-12;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 366.72 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 172885506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).