N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine

C11H17NS — CID 20679144

IUPACN,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCCN(C)C
InChIInChI=1S/C11H17NS/c1-10-6-4-5-7-11(10)13-9-8-12(2)3/h4-7H,8-9H2,1-3H3
InChIKeyBMJSNUKPFKKOLX-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.65
Rot. Bonds4

About N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine

N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine (PubChem CID 20679144) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine
PubChem CID20679144
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC NameN,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine
SMILESCc1ccccc1SCCN(C)C
InChIInChI=1S/C11H17NS/c1-10-6-4-5-7-11(10)13-9-8-12(2)3/h4-7H,8-9H2,1-3H3
InChIKeyBMJSNUKPFKKOLX-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Benzyl Diethyldithiocarbamate
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1-Methyl-2-(methylsulfanyl)benzene
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2-(Biphenyl-2-ylthio)-N,N-dimethylethanamine
CID 46233381
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2-Methyl-2-(benzylthio)propylamine
CID 423583
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Ethanamine, 2-[(diphenylmethyl)thio]-N,N-dimethyl-
CID 3028320

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine (CID 20679144) is N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine is Cc1ccccc1SCCN(C)C.
What is the InChIKey of N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine?
The InChIKey is BMJSNUKPFKKOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-10-6-4-5-7-11(10)13-9-8-12(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine?
N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine has a molecular weight of 195.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 20679144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).