2-(1-aminocyclopentyl)-6-chlorophenol

C11H14ClNO — CID 131350484

IUPAC2-(1-aminocyclopentyl)-6-chlorophenol
SMILESNC1(c2cccc(Cl)c2O)CCCC1
InChIInChI=1S/C11H14ClNO/c12-9-5-3-4-8(10(9)14)11(13)6-1-2-7-11/h3-5,14H,1-2,6-7,13H2
InChIKeyKMXYDIDDBBOSEX-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.77
Rot. Bonds1

About 2-(1-aminocyclopentyl)-6-chlorophenol

2-(1-aminocyclopentyl)-6-chlorophenol (PubChem CID 131350484) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-6-chlorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-6-chlorophenol
PubChem CID131350484
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-(1-aminocyclopentyl)-6-chlorophenol
SMILESNC1(c2cccc(Cl)c2O)CCCC1
InChIInChI=1S/C11H14ClNO/c12-9-5-3-4-8(10(9)14)11(13)6-1-2-7-11/h3-5,14H,1-2,6-7,13H2
InChIKeyKMXYDIDDBBOSEX-UHFFFAOYSA-N
XLogP2.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.77
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-aminocyclopentyl)-6-chlorophenol?
The IUPAC name of 2-(1-aminocyclopentyl)-6-chlorophenol (CID 131350484) is 2-(1-aminocyclopentyl)-6-chlorophenol.
What is the SMILES notation for 2-(1-aminocyclopentyl)-6-chlorophenol?
The canonical SMILES for 2-(1-aminocyclopentyl)-6-chlorophenol is NC1(c2cccc(Cl)c2O)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-6-chlorophenol?
The InChIKey is KMXYDIDDBBOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-9-5-3-4-8(10(9)14)11(13)6-1-2-7-11/h3-5,14H,1-2,6-7,13H2.
What are the key properties of 2-(1-aminocyclopentyl)-6-chlorophenol?
2-(1-aminocyclopentyl)-6-chlorophenol has a molecular weight of 211.69 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-6-chlorophenol is sourced from PubChem (CID 131350484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).