2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol

C13H15NO — CID 175328699

IUPAC2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C13H15NO/c1-13(15)9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-8,15H,9,14H2,1H3
InChIKeyFMOGJKVPYNHUQN-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.07
Rot. Bonds1

About 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol

2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol (PubChem CID 175328699) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol
PubChem CID175328699
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol
SMILESCC1(O)CC(c2ccccc2)=CC=C1N
InChIInChI=1S/C13H15NO/c1-13(15)9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-8,15H,9,14H2,1H3
InChIKeyFMOGJKVPYNHUQN-UHFFFAOYSA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol 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-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol (CID 175328699) is 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol is CC1(O)CC(c2ccccc2)=CC=C1N.
What is the InChIKey of 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol?
The InChIKey is FMOGJKVPYNHUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(15)9-11(7-8-12(13)14)10-5-3-2-4-6-10/h2-8,15H,9,14H2,1H3.
What are the key properties of 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol?
2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-5-phenylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175328699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).