4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol

C13H21NO2 — CID 104869306

IUPAC4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
SMILESCC(O)CCN(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C13H21NO2/c1-10(15)8-9-14(3)13-7-5-4-6-12(13)11(2)16/h4-7,10-11,15-16H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyXDKBWIGOTMQZNG-RRKGBCIJSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds5

About 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol

4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol (PubChem CID 104869306) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol.

Molecular Properties

Compound Name4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
PubChem CID104869306
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol
SMILESCC(O)CCN(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C13H21NO2/c1-10(15)8-9-14(3)13-7-5-4-6-12(13)11(2)16/h4-7,10-11,15-16H,8-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyXDKBWIGOTMQZNG-RRKGBCIJSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-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

Related Compounds

4-[2-[1-(ethylamino)ethyl]-N-methylanilino]butan-2-ol
CID 113499650
(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
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
(1S)-1-[2-[cyclopentylmethyl(methyl)amino]phenyl]ethanol
CID 55247704
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol?
The IUPAC name of 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol (CID 104869306) is 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol.
What is the SMILES notation for 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol?
The canonical SMILES for 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol is CC(O)CCN(C)c1ccccc1[C@@H](C)O.
What is the InChIKey of 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol?
The InChIKey is XDKBWIGOTMQZNG-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(15)8-9-14(3)13-7-5-4-6-12(13)11(2)16/h4-7,10-11,15-16H,8-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol?
4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]butan-2-ol is sourced from PubChem (CID 104869306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).