4-(2-amino-2-methoxyethyl)phenol

C9H13NO2 — CID 69027298

IUPAC4-(2-amino-2-methoxyethyl)phenol
SMILESCOC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-9(10)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3
InChIKeyNIAGHAWRCKXBRG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.87
Rot. Bonds3

About 4-(2-amino-2-methoxyethyl)phenol

4-(2-amino-2-methoxyethyl)phenol (PubChem CID 69027298) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(2-amino-2-methoxyethyl)phenol.

Molecular Properties

Compound Name4-(2-amino-2-methoxyethyl)phenol
PubChem CID69027298
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name4-(2-amino-2-methoxyethyl)phenol
SMILESCOC(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H13NO2/c1-12-9(10)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3
InChIKeyNIAGHAWRCKXBRG-UHFFFAOYSA-N
XLogP0.87
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methoxyethyl)phenol?
The IUPAC name of 4-(2-amino-2-methoxyethyl)phenol (CID 69027298) is 4-(2-amino-2-methoxyethyl)phenol.
What is the SMILES notation for 4-(2-amino-2-methoxyethyl)phenol?
The canonical SMILES for 4-(2-amino-2-methoxyethyl)phenol is COC(N)Cc1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-2-methoxyethyl)phenol?
The InChIKey is NIAGHAWRCKXBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-12-9(10)6-7-2-4-8(11)5-3-7/h2-5,9,11H,6,10H2,1H3.
What are the key properties of 4-(2-amino-2-methoxyethyl)phenol?
4-(2-amino-2-methoxyethyl)phenol has a molecular weight of 167.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methoxyethyl)phenol is sourced from PubChem (CID 69027298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).