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

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Related Compounds

1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
1-[4-bromo-2-(1-hydroxyethyl)-N-methylanilino]-2-methylpropan-2-ol
CID 82970441
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
CID 104869306
(1R)-1-[2-[3-(dimethylamino)propyl-methylamino]phenyl]ethanol
CID 78948192
(1S)-1-[2-[methyl(2-phenylethyl)amino]phenyl]ethanol
CID 65486288
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
(1S)-1-[2-[cyclohexylmethyl(methyl)amino]phenyl]ethanol
CID 78940236
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
(1S)-1-[2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]phenyl]ethanol
CID 105415596

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).