1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol

C13H21NO2 — CID 79386807

IUPAC1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
SMILESC[C@@H](O)c1ccccc1N(C)CC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(15)11-7-5-6-8-12(11)14(4)9-13(2,3)16/h5-8,10,15-16H,9H2,1-4H3/t10-/m1/s1
InChIKeyLVLVSZRWPOCDFO-SNVBAGLBSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds4

About 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol

1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol (PubChem CID 79386807) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
PubChem CID79386807
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
SMILESC[C@@H](O)c1ccccc1N(C)CC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-10(15)11-7-5-6-8-12(11)14(4)9-13(2,3)16/h5-8,10,15-16H,9H2,1-4H3/t10-/m1/s1
InChIKeyLVLVSZRWPOCDFO-SNVBAGLBSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-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 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol (CID 79386807) is 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol is C[C@@H](O)c1ccccc1N(C)CC(C)(C)O.
What is the InChIKey of 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol?
The InChIKey is LVLVSZRWPOCDFO-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)11-7-5-6-8-12(11)14(4)9-13(2,3)16/h5-8,10,15-16H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol?
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).