5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol

C9H15NO2 — CID 91291197

IUPAC5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
SMILESCNCC(O)C1=CC=CC(O)C1
InChIInChI=1S/C9H15NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-4,8-12H,5-6H2,1H3
InChIKeyFQNVEWPWCPWMGN-UHFFFAOYSA-N
MW169.22 g/mol
LogP-0.19
Rot. Bonds3

About 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol

5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol (PubChem CID 91291197) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
PubChem CID91291197
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol
SMILESCNCC(O)C1=CC=CC(O)C1
InChIInChI=1S/C9H15NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-4,8-12H,5-6H2,1H3
InChIKeyFQNVEWPWCPWMGN-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

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Related Compounds

3h-Adrenaline
CID 129636259
3-Methyladrenalin
CID 129634381
Dihydroadrenalin
CID 129818769
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)ethanol
CID 20196370
3-[2-(Methylamino)ethyl]cyclohexa-3,5-diene-1,2-diol
CID 57107386
5-[1-Hydroxy-2-(methylamino)ethyl]-5-methylcyclohexa-1,3-diene-1,2-diol
CID 67556371
(1R)-1-cyclohexa-1,3-dien-1-yl-2-(methylamino)ethanol
CID 68186953
2,3,4,5,7,8-hexahydro-1H-3-benzazepin-5-ol
CID 68213086
4-[(1S)-1-hydroxy-2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
CID 89194769
4-[1-Hydroxy-2-(methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 130324709
4-[1-Hydroxy-2-(methylamino)ethyl]cyclohepta-2,4,6-trien-1-ol
CID 142123453
(3E)-3-ethenyl-1-(methylamino)hexa-3,5-dien-2-ol
CID 143780082

Frequently Asked Questions

What is the IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol (CID 91291197) is 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol is CNCC(O)C1=CC=CC(O)C1.
What is the InChIKey of 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is FQNVEWPWCPWMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-4,8-12H,5-6H2,1H3.
What are the key properties of 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol?
5-[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 5-[1-hydroxy-2-(methylamino)ethyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 91291197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).