2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol

C9H15NO — CID 118888365

IUPAC2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESNCC1=CCC(CCO)C=C1
InChIInChI=1S/C9H15NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1,3-4,8,11H,2,5-7,10H2
InChIKeyPZCLFDUEYFSYJX-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds3

About 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol

2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol (PubChem CID 118888365) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol
PubChem CID118888365
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol
SMILESNCC1=CCC(CCO)C=C1
InChIInChI=1S/C9H15NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1,3-4,8,11H,2,5-7,10H2
InChIKeyPZCLFDUEYFSYJX-UHFFFAOYSA-N
XLogP0.83
TPSA46.25 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 ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]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-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol (CID 118888365) is 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol is NCC1=CCC(CCO)C=C1.
What is the InChIKey of 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol?
The InChIKey is PZCLFDUEYFSYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-9-3-1-8(2-4-9)5-6-11/h1,3-4,8,11H,2,5-7,10H2.
What are the key properties of 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol?
2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol has a molecular weight of 153.22 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]ethanol is sourced from PubChem (CID 118888365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).