[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine

C13H19NOS — CID 117347808

IUPAC[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
SMILESCOc1c(SC)cccc1C1(CN)CCC1
InChIInChI=1S/C13H19NOS/c1-15-12-10(5-3-6-11(12)16-2)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyAVDHLLVBKNVTTG-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.80
Rot. Bonds4

About [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine

[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine (PubChem CID 117347808) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
PubChem CID117347808
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine
SMILESCOc1c(SC)cccc1C1(CN)CCC1
InChIInChI=1S/C13H19NOS/c1-15-12-10(5-3-6-11(12)16-2)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3
InChIKeyAVDHLLVBKNVTTG-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine 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

[1-(2,3-dimethoxy-4-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117451936
[1-(3-chloro-2-methoxyphenyl)cyclobutyl]methanamine
CID 131255085
[1-(3-chloro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117387762
[1-(2-methoxy-3-methyl-6-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117418169
[1-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 82611087
[1-(2-cyclobutyloxy-3-methoxyphenyl)cyclobutyl]methanamine
CID 117408015
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
[3-[1-(aminomethyl)cyclopropyl]-2-methoxyphenyl]methanol
CID 117296076
[1-(1,5-dimethoxynaphthalen-2-yl)cyclopentyl]methanamine
CID 117459820
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine (CID 117347808) is [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine is COc1c(SC)cccc1C1(CN)CCC1.
What is the InChIKey of [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine?
The InChIKey is AVDHLLVBKNVTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-15-12-10(5-3-6-11(12)16-2)13(9-14)7-4-8-13/h3,5-6H,4,7-9,14H2,1-2H3.
What are the key properties of [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine?
[1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine has a molecular weight of 237.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-3-methylsulfanylphenyl)cyclobutyl]methanamine is sourced from PubChem (CID 117347808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).