4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol

C13H19NO2 — CID 117316123

IUPAC4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
SMILESCN(C)CCc1ccc(O)c(C2(O)CC2)c1
InChIInChI=1S/C13H19NO2/c1-14(2)8-5-10-3-4-12(15)11(9-10)13(16)6-7-13/h3-4,9,15-16H,5-8H2,1-2H3
InChIKeyTYJUSPUFWHJESE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds4

About 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol

4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol (PubChem CID 117316123) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
PubChem CID117316123
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
SMILESCN(C)CCc1ccc(O)c(C2(O)CC2)c1
InChIInChI=1S/C13H19NO2/c1-14(2)8-5-10-3-4-12(15)11(9-10)13(16)6-7-13/h3-4,9,15-16H,5-8H2,1-2H3
InChIKeyTYJUSPUFWHJESE-UHFFFAOYSA-N
XLogP1.48
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol (CID 117316123) is 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol is CN(C)CCc1ccc(O)c(C2(O)CC2)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol?
The InChIKey is TYJUSPUFWHJESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-14(2)8-5-10-3-4-12(15)11(9-10)13(16)6-7-13/h3-4,9,15-16H,5-8H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol?
4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol has a molecular weight of 221.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 117316123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).