2-(1-aminocyclopropyl)phenol

C9H11NO — CID 83681878

IUPAC2-(1-aminocyclopropyl)phenol
SMILESNC1(c2ccccc2O)CC1
InChIInChI=1S/C9H11NO/c10-9(5-6-9)7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2
InChIKeyWACCBGWJWDQUGW-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.34
Rot. Bonds1

About 2-(1-aminocyclopropyl)phenol

2-(1-aminocyclopropyl)phenol (PubChem CID 83681878) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)phenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)phenol
PubChem CID83681878
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-(1-aminocyclopropyl)phenol
SMILESNC1(c2ccccc2O)CC1
InChIInChI=1S/C9H11NO/c10-9(5-6-9)7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2
InChIKeyWACCBGWJWDQUGW-UHFFFAOYSA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.34
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)phenol?
The IUPAC name of 2-(1-aminocyclopropyl)phenol (CID 83681878) is 2-(1-aminocyclopropyl)phenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)phenol?
The canonical SMILES for 2-(1-aminocyclopropyl)phenol is NC1(c2ccccc2O)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)phenol?
The InChIKey is WACCBGWJWDQUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(5-6-9)7-3-1-2-4-8(7)11/h1-4,11H,5-6,10H2.
What are the key properties of 2-(1-aminocyclopropyl)phenol?
2-(1-aminocyclopropyl)phenol has a molecular weight of 149.19 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)phenol is sourced from PubChem (CID 83681878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).