1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol

C11H15NO2 — CID 117115274

IUPAC1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
SMILESNCC(O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H15NO2/c12-7-10(13)8-2-1-3-9(6-8)11(14)4-5-11/h1-3,6,10,13-14H,4-5,7,12H2
InChIKeyGVYOHYYOAWLTKO-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.66
Rot. Bonds3

About 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol

1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol (PubChem CID 117115274) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
PubChem CID117115274
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol
SMILESNCC(O)c1cccc(C2(O)CC2)c1
InChIInChI=1S/C11H15NO2/c12-7-10(13)8-2-1-3-9(6-8)11(14)4-5-11/h1-3,6,10,13-14H,4-5,7,12H2
InChIKeyGVYOHYYOAWLTKO-UHFFFAOYSA-N
XLogP0.66
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol (CID 117115274) is 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol is NCC(O)c1cccc(C2(O)CC2)c1.
What is the InChIKey of 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol?
The InChIKey is GVYOHYYOAWLTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-7-10(13)8-2-1-3-9(6-8)11(14)4-5-11/h1-3,6,10,13-14H,4-5,7,12H2.
What are the key properties of 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol?
1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol has a molecular weight of 193.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-1-hydroxyethyl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117115274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).