(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol

C9H15NO — CID 173490571

IUPAC(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol
SMILESC[C@]1([C@@H](N)CO)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(8(10)7-11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m0/s1
InChIKeyWWKGGUXFQKCYKQ-IUCAKERBSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds2

About (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol

(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 173490571) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol
PubChem CID173490571
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol
SMILESC[C@]1([C@@H](N)CO)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-9(8(10)7-11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m0/s1
InChIKeyWWKGGUXFQKCYKQ-IUCAKERBSA-N
XLogP0.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol (CID 173490571) is (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol is C[C@]1([C@@H](N)CO)C=CC=CC1.
What is the InChIKey of (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is WWKGGUXFQKCYKQ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(8(10)7-11)5-3-2-4-6-9/h2-5,8,11H,6-7,10H2,1H3/t8-,9-/m0/s1.
What are the key properties of (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol?
(2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[(1R)-1-methylcyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 173490571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).