cyclopropyl-(4-methylanilino)methanol

C11H15NO — CID 89300547

IUPACcyclopropyl-(4-methylanilino)methanol
SMILESCc1ccc(NC(O)C2CC2)cc1
InChIInChI=1S/C11H15NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h2-3,6-7,9,11-13H,4-5H2,1H3
InChIKeyRXMCCGMUQKRVDF-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.14
Rot. Bonds3

About cyclopropyl-(4-methylanilino)methanol

cyclopropyl-(4-methylanilino)methanol (PubChem CID 89300547) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is cyclopropyl-(4-methylanilino)methanol.

Molecular Properties

Compound Namecyclopropyl-(4-methylanilino)methanol
PubChem CID89300547
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Namecyclopropyl-(4-methylanilino)methanol
SMILESCc1ccc(NC(O)C2CC2)cc1
InChIInChI=1S/C11H15NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h2-3,6-7,9,11-13H,4-5H2,1H3
InChIKeyRXMCCGMUQKRVDF-UHFFFAOYSA-N
XLogP2.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclopropyl-(4-methylanilino)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 cyclopropyl-(4-methylanilino)methanol?
The IUPAC name of cyclopropyl-(4-methylanilino)methanol (CID 89300547) is cyclopropyl-(4-methylanilino)methanol.
What is the SMILES notation for cyclopropyl-(4-methylanilino)methanol?
The canonical SMILES for cyclopropyl-(4-methylanilino)methanol is Cc1ccc(NC(O)C2CC2)cc1.
What is the InChIKey of cyclopropyl-(4-methylanilino)methanol?
The InChIKey is RXMCCGMUQKRVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-2-6-10(7-3-8)12-11(13)9-4-5-9/h2-3,6-7,9,11-13H,4-5H2,1H3.
What are the key properties of cyclopropyl-(4-methylanilino)methanol?
cyclopropyl-(4-methylanilino)methanol has a molecular weight of 177.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-methylanilino)methanol is sourced from PubChem (CID 89300547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).