2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

C9H15NO — CID 88992217

IUPAC2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1=CC(NCCO)CC=C1
InChIInChI=1S/C9H15NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-3,7,9-11H,4-6H2,1H3
InChIKeySWXBKKSWSFCSRE-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.84
Rot. Bonds3

About 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol

2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (PubChem CID 88992217) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
PubChem CID88992217
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol
SMILESCC1=CC(NCCO)CC=C1
InChIInChI=1S/C9H15NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-3,7,9-11H,4-6H2,1H3
InChIKeySWXBKKSWSFCSRE-UHFFFAOYSA-N
XLogP0.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol 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 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The IUPAC name of 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol (CID 88992217) is 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol.
What is the SMILES notation for 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The canonical SMILES for 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is CC1=CC(NCCO)CC=C1.
What is the InChIKey of 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
The InChIKey is SWXBKKSWSFCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-3-2-4-9(7-8)10-5-6-11/h2-3,7,9-11H,4-6H2,1H3.
What are the key properties of 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol?
2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohexa-2,4-dien-1-yl)amino]ethanol is sourced from PubChem (CID 88992217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).