2-(1-aminocyclobutyl)-5-chlorophenol

C10H12ClNO — CID 82607167

IUPAC2-(1-aminocyclobutyl)-5-chlorophenol
SMILESNC1(c2ccc(Cl)cc2O)CCC1
InChIInChI=1S/C10H12ClNO/c11-7-2-3-8(9(13)6-7)10(12)4-1-5-10/h2-3,6,13H,1,4-5,12H2
InChIKeyXNKJTMVDAUDRGY-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.38
Rot. Bonds1

About 2-(1-aminocyclobutyl)-5-chlorophenol

2-(1-aminocyclobutyl)-5-chlorophenol (PubChem CID 82607167) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-5-chlorophenol.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-5-chlorophenol
PubChem CID82607167
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name2-(1-aminocyclobutyl)-5-chlorophenol
SMILESNC1(c2ccc(Cl)cc2O)CCC1
InChIInChI=1S/C10H12ClNO/c11-7-2-3-8(9(13)6-7)10(12)4-1-5-10/h2-3,6,13H,1,4-5,12H2
InChIKeyXNKJTMVDAUDRGY-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.38
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)-5-chlorophenol?
The IUPAC name of 2-(1-aminocyclobutyl)-5-chlorophenol (CID 82607167) is 2-(1-aminocyclobutyl)-5-chlorophenol.
What is the SMILES notation for 2-(1-aminocyclobutyl)-5-chlorophenol?
The canonical SMILES for 2-(1-aminocyclobutyl)-5-chlorophenol is NC1(c2ccc(Cl)cc2O)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-5-chlorophenol?
The InChIKey is XNKJTMVDAUDRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-7-2-3-8(9(13)6-7)10(12)4-1-5-10/h2-3,6,13H,1,4-5,12H2.
What are the key properties of 2-(1-aminocyclobutyl)-5-chlorophenol?
2-(1-aminocyclobutyl)-5-chlorophenol has a molecular weight of 197.67 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-5-chlorophenol is sourced from PubChem (CID 82607167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).