2-(1-aminocyclopropyl)-6-chlorophenol

C9H10ClNO — CID 84732624

IUPAC2-(1-aminocyclopropyl)-6-chlorophenol
SMILESNC1(c2cccc(Cl)c2O)CC1
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-6(8(7)12)9(11)4-5-9/h1-3,12H,4-5,11H2
InChIKeyQQXSUJLDCGTPFT-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.99
Rot. Bonds1

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

2-(1-aminocyclopropyl)-6-chlorophenol (PubChem CID 84732624) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-6-chlorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-6-chlorophenol
PubChem CID84732624
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-(1-aminocyclopropyl)-6-chlorophenol
SMILESNC1(c2cccc(Cl)c2O)CC1
InChIInChI=1S/C9H10ClNO/c10-7-3-1-2-6(8(7)12)9(11)4-5-9/h1-3,12H,4-5,11H2
InChIKeyQQXSUJLDCGTPFT-UHFFFAOYSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.99
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-aminocyclopropyl)-6-chlorophenol?
The IUPAC name of 2-(1-aminocyclopropyl)-6-chlorophenol (CID 84732624) is 2-(1-aminocyclopropyl)-6-chlorophenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-6-chlorophenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-6-chlorophenol is NC1(c2cccc(Cl)c2O)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-6-chlorophenol?
The InChIKey is QQXSUJLDCGTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-3-1-2-6(8(7)12)9(11)4-5-9/h1-3,12H,4-5,11H2.
What are the key properties of 2-(1-aminocyclopropyl)-6-chlorophenol?
2-(1-aminocyclopropyl)-6-chlorophenol has a molecular weight of 183.64 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-6-chlorophenol is sourced from PubChem (CID 84732624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).