N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine

C14H21NOS — CID 103274071

IUPACN-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
SMILESCNCCC1(Oc2ccc(SC)cc2)CCC1
InChIInChI=1S/C14H21NOS/c1-15-11-10-14(8-3-9-14)16-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyWDJRHSFREXCPIR-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine

N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine (PubChem CID 103274071) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
PubChem CID103274071
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
SMILESCNCCC1(Oc2ccc(SC)cc2)CCC1
InChIInChI=1S/C14H21NOS/c1-15-11-10-14(8-3-9-14)16-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3
InChIKeyWDJRHSFREXCPIR-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-Methanesulfonylphenoxy)propyl](methyl)amine
CID 43807214
4-(2-Fluoro-4-methylsulfanylphenoxy)piperidine
CID 22032398
3-Methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]azepane
CID 57135090
4-[3-(3-Fluoro-4-methylsulfanylphenoxy)propyl]piperidine
CID 68362845
4-[3-(3-Fluoro-4-methylsulfinylphenoxy)propyl]piperidine
CID 143388197
4-[3-(3,5-Difluoro-4-methylsulfanylphenoxy)propyl]piperidine
CID 145568622
1-[3-[4-(difluoromethylsulfonyl)phenoxy]cyclobutyl]-N-methylmethanamine
CID 65987814
N-methyl-1-[3-[4-(trifluoromethylsulfonyl)phenoxy]cyclobutyl]methanamine
CID 65990299
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
N-[2-[1-(4-fluorophenoxy)cyclobutyl]ethyl]propan-1-amine
CID 103273634
2-[1-(4-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273637
2-[1-(3-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273733

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine?
The IUPAC name of N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine (CID 103274071) is N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine?
The canonical SMILES for N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine is CNCCC1(Oc2ccc(SC)cc2)CCC1.
What is the InChIKey of N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine?
The InChIKey is WDJRHSFREXCPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-15-11-10-14(8-3-9-14)16-12-4-6-13(17-2)7-5-12/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine?
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine has a molecular weight of 251.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103274071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).