N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride

C15H18ClNS — CID 3072283

IUPACN,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride
SMILESCN(C)Cc1cccc(Sc2ccccc2)c1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-16(2)12-13-7-6-10-15(11-13)17-14-8-4-3-5-9-14;/h3-11H,12H2,1-2H3;1H
InChIKeyZBATZPLISIGWDE-UHFFFAOYSA-N
MW279.84 g/mol
LogP4.32
Rot. Bonds4

About N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride

N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride (PubChem CID 3072283) has the molecular formula C15H18ClNS and a molecular weight of 279.84 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride
PubChem CID3072283
Molecular FormulaC15H18ClNS
Molecular Weight279.84 g/mol
Exact Mass279.08
IUPAC NameN,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride
SMILESCN(C)Cc1cccc(Sc2ccccc2)c1.Cl
InChIInChI=1S/C15H17NS.ClH/c1-16(2)12-13-7-6-10-15(11-13)17-14-8-4-3-5-9-14;/h3-11H,12H2,1-2H3;1H
InChIKeyZBATZPLISIGWDE-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.84
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 791371
4-[4-(Methylthio)benzyl]thiomorpholine
CID 1377280
N,N-dimethyl(2-(3-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 826771
1-[2-(Phenylsulfanyl)benzyl]pyrrolidine
CID 827143
N,N-dimethyl(2-(4-(trifluoromethyl)phenylthio)phenyl)methanamine
CID 16640939
N,N-dimethyl(2-(4-(methylthio)phenylthio)phenyl)methanamine
CID 24103136
N'-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 3071792
1-[1-(3-methylsulfanylphenyl)cyclohexyl]-3,6-dihydro-2H-pyridine
CID 14762893
Benzenemethanamine, 2-[(4-chlorophenyl)thio]-N,N-dimethyl-
CID 15132120
(2-(3-chlorophenylthio)phenyl)-N,N-dimethylmethanamine
CID 15132121
N,N-dimethyl-1-(2-naphthalen-1-ylsulfanylphenyl)methanamine;hydrochloride
CID 15945571
(2-(4-(methylthio)benzyl)phenyl)-N,N-dimethylmethanamine
CID 44568694

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride (CID 3072283) is N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride is CN(C)Cc1cccc(Sc2ccccc2)c1.Cl.
What is the InChIKey of N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride?
The InChIKey is ZBATZPLISIGWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS.ClH/c1-16(2)12-13-7-6-10-15(11-13)17-14-8-4-3-5-9-14;/h3-11H,12H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride?
N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride has a molecular weight of 279.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 3072283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).