2-aminophenol;1-methyl-1-propylcyclopentane

C15H25NO — CID 174933153

IUPAC2-aminophenol;1-methyl-1-propylcyclopentane
SMILESCCCC1(C)CCCC1.Nc1ccccc1O
InChIInChI=1S/C9H18.C6H7NO/c1-3-6-9(2)7-4-5-8-9;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;1-4,8H,7H2
InChIKeyIOXMLKGKTXGFEA-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.34
Rot. Bonds2

About 2-aminophenol;1-methyl-1-propylcyclopentane

2-aminophenol;1-methyl-1-propylcyclopentane (PubChem CID 174933153) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-aminophenol;1-methyl-1-propylcyclopentane.

Molecular Properties

Compound Name2-aminophenol;1-methyl-1-propylcyclopentane
PubChem CID174933153
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-aminophenol;1-methyl-1-propylcyclopentane
SMILESCCCC1(C)CCCC1.Nc1ccccc1O
InChIInChI=1S/C9H18.C6H7NO/c1-3-6-9(2)7-4-5-8-9;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;1-4,8H,7H2
InChIKeyIOXMLKGKTXGFEA-UHFFFAOYSA-N
XLogP4.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-aminophenol;1-methyl-1-propylcyclopentane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminophenol;1-methyl-1-propylcyclopentane?
The IUPAC name of 2-aminophenol;1-methyl-1-propylcyclopentane (CID 174933153) is 2-aminophenol;1-methyl-1-propylcyclopentane.
What is the SMILES notation for 2-aminophenol;1-methyl-1-propylcyclopentane?
The canonical SMILES for 2-aminophenol;1-methyl-1-propylcyclopentane is CCCC1(C)CCCC1.Nc1ccccc1O.
What is the InChIKey of 2-aminophenol;1-methyl-1-propylcyclopentane?
The InChIKey is IOXMLKGKTXGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C6H7NO/c1-3-6-9(2)7-4-5-8-9;7-5-3-1-2-4-6(5)8/h3-8H2,1-2H3;1-4,8H,7H2.
What are the key properties of 2-aminophenol;1-methyl-1-propylcyclopentane?
2-aminophenol;1-methyl-1-propylcyclopentane has a molecular weight of 235.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminophenol;1-methyl-1-propylcyclopentane is sourced from PubChem (CID 174933153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).