5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol

C14H22N2O2 — CID 79603845

IUPAC5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N2CCC(N(C)C)C2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(17)13-5-4-11(8-14(13)18)16-7-6-12(9-16)15(2)3/h4-5,8,10,12,17-18H,6-7,9H2,1-3H3
InChIKeyQQASWVVLMQBLIH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.59
Rot. Bonds3

About 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol

5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol (PubChem CID 79603845) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol.

Molecular Properties

Compound Name5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
PubChem CID79603845
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol
SMILESCC(O)c1ccc(N2CCC(N(C)C)C2)cc1O
InChIInChI=1S/C14H22N2O2/c1-10(17)13-5-4-11(8-14(13)18)16-7-6-12(9-16)15(2)3/h4-5,8,10,12,17-18H,6-7,9H2,1-3H3
InChIKeyQQASWVVLMQBLIH-UHFFFAOYSA-N
XLogP1.59
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol?
The IUPAC name of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol (CID 79603845) is 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol.
What is the SMILES notation for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol?
The canonical SMILES for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol is CC(O)c1ccc(N2CCC(N(C)C)C2)cc1O.
What is the InChIKey of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol?
The InChIKey is QQASWVVLMQBLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(17)13-5-4-11(8-14(13)18)16-7-6-12(9-16)15(2)3/h4-5,8,10,12,17-18H,6-7,9H2,1-3H3.
What are the key properties of 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol?
5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol has a molecular weight of 250.34 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)pyrrolidin-1-yl]-2-(1-hydroxyethyl)phenol is sourced from PubChem (CID 79603845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).