2-(1-amino-2-ethylcyclopropyl)phenol

C11H15NO — CID 84656088

IUPAC2-(1-amino-2-ethylcyclopropyl)phenol
SMILESCCC1CC1(N)c1ccccc1O
InChIInChI=1S/C11H15NO/c1-2-8-7-11(8,12)9-5-3-4-6-10(9)13/h3-6,8,13H,2,7,12H2,1H3
InChIKeyDRGUZRZVIQTZKA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.98
Rot. Bonds2

About 2-(1-amino-2-ethylcyclopropyl)phenol

2-(1-amino-2-ethylcyclopropyl)phenol (PubChem CID 84656088) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(1-amino-2-ethylcyclopropyl)phenol.

Molecular Properties

Compound Name2-(1-amino-2-ethylcyclopropyl)phenol
PubChem CID84656088
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(1-amino-2-ethylcyclopropyl)phenol
SMILESCCC1CC1(N)c1ccccc1O
InChIInChI=1S/C11H15NO/c1-2-8-7-11(8,12)9-5-3-4-6-10(9)13/h3-6,8,13H,2,7,12H2,1H3
InChIKeyDRGUZRZVIQTZKA-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.98
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-amino-2-ethylcyclopropyl)phenol?
The IUPAC name of 2-(1-amino-2-ethylcyclopropyl)phenol (CID 84656088) is 2-(1-amino-2-ethylcyclopropyl)phenol.
What is the SMILES notation for 2-(1-amino-2-ethylcyclopropyl)phenol?
The canonical SMILES for 2-(1-amino-2-ethylcyclopropyl)phenol is CCC1CC1(N)c1ccccc1O.
What is the InChIKey of 2-(1-amino-2-ethylcyclopropyl)phenol?
The InChIKey is DRGUZRZVIQTZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-8-7-11(8,12)9-5-3-4-6-10(9)13/h3-6,8,13H,2,7,12H2,1H3.
What are the key properties of 2-(1-amino-2-ethylcyclopropyl)phenol?
2-(1-amino-2-ethylcyclopropyl)phenol has a molecular weight of 177.25 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-ethylcyclopropyl)phenol is sourced from PubChem (CID 84656088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).