N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride

C13H22ClNS — CID 3065010

IUPACN,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride
SMILESCCCSC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-4-10-15-13(11-14(2)3)12-8-6-5-7-9-12;/h5-9,13H,4,10-11H2,1-3H3;1H
InChIKeyGGODGNXTUHKXBJ-UHFFFAOYSA-N
MW259.85 g/mol
LogP3.85
Rot. Bonds6

About N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride

N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride (PubChem CID 3065010) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride
PubChem CID3065010
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC NameN,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride
SMILESCCCSC(CN(C)C)c1ccccc1.Cl
InChIInChI=1S/C13H21NS.ClH/c1-4-10-15-13(11-14(2)3)12-8-6-5-7-9-12;/h5-9,13H,4,10-11H2,1-3H3;1H
InChIKeyGGODGNXTUHKXBJ-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25125
N,N-dimethyl-1-[4-(methylsulfanyl)phenyl]propan-2-amine
CID 46882974
4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
N,N-Dimethylbenzenepropanamine
CID 25187
Benzyl Diethyldithiocarbamate
CID 590455
N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride
CID 17139087
2-Methyl-2-(benzylthio)propylamine
CID 423583
Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320
N-methyl-N-(2-phenylethyl)hexan-1-amine
CID 10242555
Trimethylphenethylammonium iodide
CID 14107
Benzeneethanamine, N,N-dimethyl-, hydrochloride (1:1)
CID 25124

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride (CID 3065010) is N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride is CCCSC(CN(C)C)c1ccccc1.Cl.
What is the InChIKey of N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride?
The InChIKey is GGODGNXTUHKXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS.ClH/c1-4-10-15-13(11-14(2)3)12-8-6-5-7-9-12;/h5-9,13H,4,10-11H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride?
N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride has a molecular weight of 259.85 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-2-propylsulfanylethanamine;hydrochloride is sourced from PubChem (CID 3065010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).