2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol

C10H13NO2 — CID 117277965

IUPAC2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol
SMILESNC1(c2cccc(CO)c2O)CC1
InChIInChI=1S/C10H13NO2/c11-10(4-5-10)8-3-1-2-7(6-12)9(8)13/h1-3,12-13H,4-6,11H2
InChIKeyCDRGIYRHDGMLQJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.83
Rot. Bonds2

About 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol

2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol (PubChem CID 117277965) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol
PubChem CID117277965
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol
SMILESNC1(c2cccc(CO)c2O)CC1
InChIInChI=1S/C10H13NO2/c11-10(4-5-10)8-3-1-2-7(6-12)9(8)13/h1-3,12-13H,4-6,11H2
InChIKeyCDRGIYRHDGMLQJ-UHFFFAOYSA-N
XLogP0.83
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(hydroxymethyl)phenol?
The IUPAC name of 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol (CID 117277965) is 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol is NC1(c2cccc(CO)c2O)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol?
The InChIKey is CDRGIYRHDGMLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-10(4-5-10)8-3-1-2-7(6-12)9(8)13/h1-3,12-13H,4-6,11H2.
What are the key properties of 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol?
2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol has a molecular weight of 179.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-6-(hydroxymethyl)phenol is sourced from PubChem (CID 117277965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).