1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C15H17Cl2NS — CID 3027272

IUPAC1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cccc(Sc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-4-3-5-15(10-12)18-14-8-6-13(16)7-9-14;/h3-10H,11H2,1-2H3;1H
InChIKeyLVHPYLPOZQGYHP-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.97
Rot. Bonds4

About 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3027272) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3027272
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCN(C)Cc1cccc(Sc2ccc(Cl)cc2)c1.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-4-3-5-15(10-12)18-14-8-6-13(16)7-9-14;/h3-10H,11H2,1-2H3;1H
InChIKeyLVHPYLPOZQGYHP-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanamine, 2-[(4-chlorophenyl)thio]-N,N-dimethyl-
CID 15132120
(2-(3-chlorophenylthio)phenyl)-N,N-dimethylmethanamine
CID 15132121
N-{2-[(2,4-dichlorophenyl)sulfanyl]-4-fluorobenzyl}-N,N-dimethylamine
CID 15945686
CID 15945687
CID 15945687
N'-[[2-(2-chlorophenyl)sulfanylphenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 137640861
N,N-Dimethyl-3-(2-chlorophenylthio)benzylamine hydrochloride
CID 3027271
N,N-Dimethyl-4-(3-chlorophenylthio)benzylamine hydrochloride
CID 3027274
Sulfide, p-chlorophenyl (4-chloro-2-(3-(dimethylamino)propyl))phenyl, hydrochloride
CID 116023
Sulfide, p-chlorophenyl (5-chloro-2-(3-(dimethylamino)propyl)phenyl), hydrochloride
CID 3048655
Benzenemethanamine, 2-((2-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3071801
Benzenemethanamine, 3-((3-chlorophenyl)thio)-N,N-dimethyl-, hydrochloride
CID 3072281
Benzenemethanamine, N,N-dimethyl-3-(phenylthio)-, hydrochloride
CID 3072283

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3027272) is 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is CN(C)Cc1cccc(Sc2ccc(Cl)cc2)c1.Cl.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is LVHPYLPOZQGYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS.ClH/c1-17(2)11-12-4-3-5-15(10-12)18-14-8-6-13(16)7-9-14;/h3-10H,11H2,1-2H3;1H.
What are the key properties of 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 314.28 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3027272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).