N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine

C13H20N2S — CID 117040828

IUPACN-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
SMILESCSc1ccc(CCN(C)C2CNC2)cc1
InChIInChI=1S/C13H20N2S/c1-15(12-9-14-10-12)8-7-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeySTVWAKNGPKKMAH-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine

N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine (PubChem CID 117040828) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
PubChem CID117040828
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC NameN-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
SMILESCSc1ccc(CCN(C)C2CNC2)cc1
InChIInChI=1S/C13H20N2S/c1-15(12-9-14-10-12)8-7-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3
InChIKeySTVWAKNGPKKMAH-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-propylphenyl)ethyl]azetidin-3-amine
CID 117040771
N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine
CID 115207934
N-[2-(4-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 66187359
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methylazetidin-3-amine
CID 117040773
N-(azetidin-3-yl)-N-methyl-4-methylsulfanylbenzamide
CID 79218052
N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidin-3-amine
CID 63642664
4-[methyl-[2-(4-methylsulfanylphenyl)ethyl]amino]butan-1-ol
CID 115217902
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]-2-oxopropanamide
CID 115176052
N-methyl-4-methylsulfanyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 82760083
(3aR,6aS)-5-[(4-methylsulfanylphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660835

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine (CID 117040828) is N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine is CSc1ccc(CCN(C)C2CNC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine?
The InChIKey is STVWAKNGPKKMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-15(12-9-14-10-12)8-7-11-3-5-13(16-2)6-4-11/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine?
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine has a molecular weight of 236.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine is sourced from PubChem (CID 117040828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).