1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol

C9H15NO2 — CID 154389573

IUPAC1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
SMILESCNCC(O)C1(O)C=CC=CC1
InChIInChI=1S/C9H15NO2/c1-10-7-8(11)9(12)5-3-2-4-6-9/h2-5,8,10-12H,6-7H2,1H3
InChIKeySFWYIHOOLWILEL-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.19
Rot. Bonds3

About 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol

1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol (PubChem CID 154389573) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
PubChem CID154389573
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
SMILESCNCC(O)C1(O)C=CC=CC1
InChIInChI=1S/C9H15NO2/c1-10-7-8(11)9(12)5-3-2-4-6-9/h2-5,8,10-12H,6-7H2,1H3
InChIKeySFWYIHOOLWILEL-UHFFFAOYSA-N
XLogP-0.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol (CID 154389573) is 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol is CNCC(O)C1(O)C=CC=CC1.
What is the InChIKey of 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is SFWYIHOOLWILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-7-8(11)9(12)5-3-2-4-6-9/h2-5,8,10-12H,6-7H2,1H3.
What are the key properties of 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 169.22 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 154389573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).