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

C15H15Cl3FNS — CID 172713467

IUPAC1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-12(18)4-6-14(10)20-15-5-3-11(16)8-13(15)17;/h3-8H,9H2,1-2H3;1H
InChIKeyFNZJAUFJHZKHMB-UHFFFAOYSA-N
MW366.72 g/mol
LogP5.77
Rot. Bonds4

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

1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 172713467) has the molecular formula C15H15Cl3FNS and a molecular weight of 366.72 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID172713467
Molecular FormulaC15H15Cl3FNS
Molecular Weight366.72 g/mol
Exact Mass365.00
IUPAC Name1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-12(18)4-6-14(10)20-15-5-3-11(16)8-13(15)17;/h3-8H,9H2,1-2H3;1H
InChIKeyFNZJAUFJHZKHMB-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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Related Compounds

1-[2-(3,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride
CID 172885506
1-[2-(2,4-dichlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;oxalic acid
CID 16641181
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1-[5-chloro-2-(4-methylsulfanylphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;oxalic acid
CID 67616832
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
N-[[2-(2,4-dichlorophenyl)sulfanylphenyl]methyl]-N',N'-dimethylbutane-1,4-diamine
CID 59066651
1-[2-(4-(18F)fluoro-2-nitrophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 146169783
CID 91306893
CID 91306893
but-2-enedioic acid;1-[5-fluoro-2-(3-fluorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
CID 67633163
2-(2,5-dichlorophenyl)sulfanyl-5-fluoro-N,N-dimethylbenzamide
CID 1201721
1-[2-(4-fluoro-3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
CID 67632592
1-[3-chloro-4-(2,5-difluorophenyl)sulfanylphenyl]-N-methylethanamine
CID 63533351

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride (CID 172713467) is 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1cc(F)ccc1Sc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is FNZJAUFJHZKHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNS.ClH/c1-19(2)9-10-7-12(18)4-6-14(10)20-15-5-3-11(16)8-13(15)17;/h3-8H,9H2,1-2H3;1H.
What are the key properties of 1-[2-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[2-(2,4-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-(2,4-dichlorophenyl)sulfanyl-5-fluorophenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 172713467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).