2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol

C15H23NO — CID 117339277

IUPAC2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(C2(N)CCC2)c1
InChIInChI=1S/C15H23NO/c1-14(2,3)10-11-5-6-13(17)12(9-11)15(16)7-4-8-15/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyOCLRDPMRTBCSGD-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds2

About 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol

2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol (PubChem CID 117339277) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
PubChem CID117339277
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
SMILESCC(C)(C)Cc1ccc(O)c(C2(N)CCC2)c1
InChIInChI=1S/C15H23NO/c1-14(2,3)10-11-5-6-13(17)12(9-11)15(16)7-4-8-15/h5-6,9,17H,4,7-8,10,16H2,1-3H3
InChIKeyOCLRDPMRTBCSGD-UHFFFAOYSA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol?
The IUPAC name of 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol (CID 117339277) is 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol is CC(C)(C)Cc1ccc(O)c(C2(N)CCC2)c1.
What is the InChIKey of 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol?
The InChIKey is OCLRDPMRTBCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-14(2,3)10-11-5-6-13(17)12(9-11)15(16)7-4-8-15/h5-6,9,17H,4,7-8,10,16H2,1-3H3.
What are the key properties of 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol?
2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol has a molecular weight of 233.35 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol is sourced from PubChem (CID 117339277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).