[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol

C9H15NO — CID 151950771

IUPAC[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESNCC[C@@]1(CO)C=CC=CC1
InChIInChI=1S/C9H15NO/c10-7-6-9(8-11)4-2-1-3-5-9/h1-4,11H,5-8,10H2/t9-/m1/s1
InChIKeyTWPGQJVNIXXBNN-SECBINFHSA-N
MW153.22 g/mol
LogP0.83
Rot. Bonds3

About [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol

[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 151950771) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID151950771
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESNCC[C@@]1(CO)C=CC=CC1
InChIInChI=1S/C9H15NO/c10-7-6-9(8-11)4-2-1-3-5-9/h1-4,11H,5-8,10H2/t9-/m1/s1
InChIKeyTWPGQJVNIXXBNN-SECBINFHSA-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 [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol 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 [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 151950771) is [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol is NCC[C@@]1(CO)C=CC=CC1.
What is the InChIKey of [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is TWPGQJVNIXXBNN-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c10-7-6-9(8-11)4-2-1-3-5-9/h1-4,11H,5-8,10H2/t9-/m1/s1.
What are the key properties of [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol?
[(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol 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 [(1R)-1-(2-aminoethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 151950771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).