3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine

C14H21NOS — CID 112554477

IUPAC3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCSc2ccccc2)C1
InChIInChI=1S/C14H21NOS/c1-2-16-13-10-12(11-13)15-8-9-17-14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyFDDUISYJHPVFGC-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.94
Rot. Bonds7

About 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine

3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine (PubChem CID 112554477) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
PubChem CID112554477
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCCSc2ccccc2)C1
InChIInChI=1S/C14H21NOS/c1-2-16-13-10-12(11-13)15-8-9-17-14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3
InChIKeyFDDUISYJHPVFGC-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-N-(2-phenylsulfanylethyl)cyclobutan-1-amine
CID 60975909
1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
3-ethoxy-N-(5-methylsulfanylpentyl)cyclobutan-1-amine
CID 104926478
N-(2-phenylsulfanylethyl)oxolan-3-amine
CID 63335095
N-(2-phenylsulfanylethyl)pyrrolidin-3-amine
CID 79730811
N-(2-phenylsulfanylethyl)-4-propylcycloheptan-1-amine
CID 65091598
2-[(3-ethoxycyclobutyl)amino]-N-phenylacetamide
CID 103921112
3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine
CID 112553258
N-cyclopentyloxy-2-phenylsulfanylethanamine
CID 83235558
N-(3-ethoxycyclobutyl)-3-methylsulfanylaniline
CID 112561869
3-ethoxy-N-(3,3,3-trifluoropropyl)cyclobutan-1-amine
CID 112553169
N-[2-(4-methoxyphenyl)sulfanylethyl]cyclopropanamine
CID 61385788

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine (CID 112554477) is 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine is CCOC1CC(NCCSc2ccccc2)C1.
What is the InChIKey of 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is FDDUISYJHPVFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-16-13-10-12(11-13)15-8-9-17-14-6-4-3-5-7-14/h3-7,12-13,15H,2,8-11H2,1H3.
What are the key properties of 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine?
3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-phenylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 112554477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).