4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol

C13H22N2O2 — CID 84748173

IUPAC4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(C)(N)N(C)C)ccc1O
InChIInChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)16)9-13(2,14)15(3)4/h6-8,16H,5,9,14H2,1-4H3
InChIKeyMLSWUKVDAGMSHA-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.57
Rot. Bonds5

About 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol

4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol (PubChem CID 84748173) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol
PubChem CID84748173
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(C)(N)N(C)C)ccc1O
InChIInChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)16)9-13(2,14)15(3)4/h6-8,16H,5,9,14H2,1-4H3
InChIKeyMLSWUKVDAGMSHA-UHFFFAOYSA-N
XLogP1.57
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(dimethylamino)propyl]-2-ethoxyphenol?
The IUPAC name of 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol (CID 84748173) is 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol?
The canonical SMILES for 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol is CCOc1cc(CC(C)(N)N(C)C)ccc1O.
What is the InChIKey of 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol?
The InChIKey is MLSWUKVDAGMSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-17-12-8-10(6-7-11(12)16)9-13(2,14)15(3)4/h6-8,16H,5,9,14H2,1-4H3.
What are the key properties of 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol?
4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol has a molecular weight of 238.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol is sourced from PubChem (CID 84748173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).