2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol

C13H18ClNO2 — CID 117392420

IUPAC2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(N)CCC2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-8-7-9(17-2)12(16)10(11(8)14)13(15)5-4-6-13/h7,16H,3-6,15H2,1-2H3
InChIKeyWYNPRODOBLEMPG-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.95
Rot. Bonds3

About 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol

2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol (PubChem CID 117392420) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
PubChem CID117392420
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(C2(N)CCC2)c1Cl
InChIInChI=1S/C13H18ClNO2/c1-3-8-7-9(17-2)12(16)10(11(8)14)13(15)5-4-6-13/h7,16H,3-6,15H2,1-2H3
InChIKeyWYNPRODOBLEMPG-UHFFFAOYSA-N
XLogP2.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol 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-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250
2-[1-(aminomethyl)cyclopropyl]-3-chloro-4-ethyl-6-methoxyphenol
CID 117392546
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclopentyl)-3-ethyl-6-methoxyphenol
CID 117342969
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(5-chloro-2-ethyl-4-methoxyphenyl)cyclopentan-1-amine
CID 117388014
2-(1-aminocyclopropyl)-4-chloro-3-fluoro-6-methoxyphenol
CID 117335344
2-[1-(aminomethyl)cyclopropyl]-3-bromo-4-ethyl-6-methoxyphenol
CID 117483377
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
2-[1-(aminomethyl)cyclopentyl]-3-chloro-6-methoxy-4-methylphenol
CID 117427824
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol?
The IUPAC name of 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol (CID 117392420) is 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol is CCc1cc(OC)c(O)c(C2(N)CCC2)c1Cl.
What is the InChIKey of 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol?
The InChIKey is WYNPRODOBLEMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-8-7-9(17-2)12(16)10(11(8)14)13(15)5-4-6-13/h7,16H,3-6,15H2,1-2H3.
What are the key properties of 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol?
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol has a molecular weight of 255.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol is sourced from PubChem (CID 117392420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).