1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol

C12H21NO2 — CID 70606323

IUPAC1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1=CC(C)(C(C)O)C(C(C)O)C(N)=C1
InChIInChI=1S/C12H21NO2/c1-7-5-10(13)11(8(2)14)12(4,6-7)9(3)15/h5-6,8-9,11,14-15H,13H2,1-4H3
InChIKeyUCIBBQPKHZCZHN-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.17
Rot. Bonds2

About 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol

1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 70606323) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol
PubChem CID70606323
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol
SMILESCC1=CC(C)(C(C)O)C(C(C)O)C(N)=C1
InChIInChI=1S/C12H21NO2/c1-7-5-10(13)11(8(2)14)12(4,6-7)9(3)15/h5-6,8-9,11,14-15H,13H2,1-4H3
InChIKeyUCIBBQPKHZCZHN-UHFFFAOYSA-N
XLogP1.17
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol (CID 70606323) is 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol is CC1=CC(C)(C(C)O)C(C(C)O)C(N)=C1.
What is the InChIKey of 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is UCIBBQPKHZCZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7-5-10(13)11(8(2)14)12(4,6-7)9(3)15/h5-6,8-9,11,14-15H,13H2,1-4H3.
What are the key properties of 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol?
1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 211.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-(1-hydroxyethyl)-4,6-dimethylcyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 70606323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).