2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol

C9H15NO — CID 70183220

IUPAC2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCC1(CCO)C=CC=CC1N
InChIInChI=1S/C9H15NO/c1-9(6-7-11)5-3-2-4-8(9)10/h2-5,8,11H,6-7,10H2,1H3
InChIKeyCBNALCQRUPZSRM-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds2

About 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol

2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol (PubChem CID 70183220) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol.

Molecular Properties

Compound Name2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
PubChem CID70183220
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol
SMILESCC1(CCO)C=CC=CC1N
InChIInChI=1S/C9H15NO/c1-9(6-7-11)5-3-2-4-8(9)10/h2-5,8,11H,6-7,10H2,1H3
InChIKeyCBNALCQRUPZSRM-UHFFFAOYSA-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 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol?
The IUPAC name of 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol (CID 70183220) is 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol.
What is the SMILES notation for 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol?
The canonical SMILES for 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol is CC1(CCO)C=CC=CC1N.
What is the InChIKey of 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol?
The InChIKey is CBNALCQRUPZSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(6-7-11)5-3-2-4-8(9)10/h2-5,8,11H,6-7,10H2,1H3.
What are the key properties of 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol?
2-(6-amino-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 2-(6-amino-1-methylcyclohexa-2,4-dien-1-yl)ethanol is sourced from PubChem (CID 70183220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).