N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine

C14H22N2S — CID 115207934

IUPACN-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN(C)CC2CNC2)cc1
InChIInChI=1S/C14H22N2S/c1-16(11-13-9-15-10-13)8-7-12-3-5-14(17-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3
InChIKeyCUAXXSFYZJCZEX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.10
Rot. Bonds6

About N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine

N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine (PubChem CID 115207934) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine
PubChem CID115207934
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(CCN(C)CC2CNC2)cc1
InChIInChI=1S/C14H22N2S/c1-16(11-13-9-15-10-13)8-7-12-3-5-14(17-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3
InChIKeyCUAXXSFYZJCZEX-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
CID 117040828
N-(azetidin-3-ylmethyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 115207950
N-(azetidin-3-ylmethyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 115207956
4-[methyl-[2-(4-methylsulfanylphenyl)ethyl]amino]butan-1-ol
CID 115217902
2-(azetidin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethanamine
CID 116679477
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
N-diaminophosphoryl-2-(4-methylsulfanylphenyl)-N-[2-(4-methylsulfanylphenyl)ethyl]ethanamine
CID 57188233
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716950
N-(azetidin-3-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115207906
N-methyl-N-[(4-methylpyrrolidin-3-yl)methyl]-2-pyridin-4-ylethanamine
CID 55229589
4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-one
CID 115240273

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine (CID 115207934) is N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(CCN(C)CC2CNC2)cc1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is CUAXXSFYZJCZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-16(11-13-9-15-10-13)8-7-12-3-5-14(17-2)6-4-12/h3-6,13,15H,7-11H2,1-2H3.
What are the key properties of N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine?
N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 250.41 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-N-methyl-2-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115207934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).