3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine

C14H22N2S — CID 115214297

IUPAC3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCSc1ccc(CCNCC2CC(N)C2)cc1
InChIInChI=1S/C14H22N2S/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10,15H2,1H3
InChIKeyCHXOVHCRPDOSQO-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.28
Rot. Bonds6

About 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine

3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine (PubChem CID 115214297) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
PubChem CID115214297
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
SMILESCSc1ccc(CCNCC2CC(N)C2)cc1
InChIInChI=1S/C14H22N2S/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10,15H2,1H3
InChIKeyCHXOVHCRPDOSQO-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine 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-[[2-(4-ethylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214298
[2-(4-methylsulfanylphenyl)ethylamino]methanethiol
CID 115228282
N-[2-(4-methylsulfanylphenyl)ethyl]propan-1-amine
CID 64866405
N-ethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]ethane-1,2-diamine
CID 115206026
2-methyl-1-[2-(4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 98015373
N-methyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115202135
N-[2-(4-methylsulfanylphenyl)ethyl]cyclopentanamine
CID 96661182
N-benzyl-2-(4-methylsulfanylphenyl)ethanamine
CID 102197359
2,2-dimethyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115205015
3-[[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214323
3-[[2-(1,3-benzoxazol-6-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214300
3-[[2-(4-methoxyphenyl)ethylamino]methyl]cyclobutan-1-ol
CID 66005906

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine (CID 115214297) is 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine is CSc1ccc(CCNCC2CC(N)C2)cc1.
What is the InChIKey of 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
The InChIKey is CHXOVHCRPDOSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-17-14-4-2-11(3-5-14)6-7-16-10-12-8-13(15)9-12/h2-5,12-13,16H,6-10,15H2,1H3.
What are the key properties of 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine?
3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylsulfanylphenyl)ethylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).