3-amino-1-(2-methylindol-1-yl)butan-2-ol

C13H18N2O — CID 67714768

IUPAC3-amino-1-(2-methylindol-1-yl)butan-2-ol
SMILESCc1cc2ccccc2n1CC(O)C(C)N
InChIInChI=1S/C13H18N2O/c1-9-7-11-5-3-4-6-12(11)15(9)8-13(16)10(2)14/h3-7,10,13,16H,8,14H2,1-2H3
InChIKeyZAJOBVXFEJZCST-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.66
Rot. Bonds3

About 3-amino-1-(2-methylindol-1-yl)butan-2-ol

3-amino-1-(2-methylindol-1-yl)butan-2-ol (PubChem CID 67714768) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-amino-1-(2-methylindol-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-1-(2-methylindol-1-yl)butan-2-ol
PubChem CID67714768
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-amino-1-(2-methylindol-1-yl)butan-2-ol
SMILESCc1cc2ccccc2n1CC(O)C(C)N
InChIInChI=1S/C13H18N2O/c1-9-7-11-5-3-4-6-12(11)15(9)8-13(16)10(2)14/h3-7,10,13,16H,8,14H2,1-2H3
InChIKeyZAJOBVXFEJZCST-UHFFFAOYSA-N
XLogP1.66
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2-methylindol-1-yl)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

(2S)-1-(2-methylindol-1-yl)propan-2-ol
CID 177480957
1-(2-ethylbutyl)-2-methylindole
CID 82925203
1-(2-methylindol-1-yl)propan-2-yl hydrogen sulfate
CID 88819965
3-methyl-1-(2-methylindol-1-yl)butan-2-one
CID 12795650
2-[[(2S)-1-(2-methylindol-1-yl)propan-2-yl]amino]acetaldehyde
CID 174496386
3,3,3-trifluoro-2-[(2-methylindol-1-yl)methyl]propanoic acid
CID 113259082
1-[1-(2-methylpropyl)indol-2-yl]ethanamine
CID 115107050
4-[2-(2-methylindol-1-yl)ethyl]aniline
CID 43519624
propan-2-yl 2-(2-methylindol-1-yl)acetate
CID 54940863
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
1-[(4-fluorophenyl)methyl]-2-methylindole
CID 3272016
1-[(2,6-difluorophenyl)methyl]-2-methylindole
CID 114934250

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylindol-1-yl)butan-2-ol?
The IUPAC name of 3-amino-1-(2-methylindol-1-yl)butan-2-ol (CID 67714768) is 3-amino-1-(2-methylindol-1-yl)butan-2-ol.
What is the SMILES notation for 3-amino-1-(2-methylindol-1-yl)butan-2-ol?
The canonical SMILES for 3-amino-1-(2-methylindol-1-yl)butan-2-ol is Cc1cc2ccccc2n1CC(O)C(C)N.
What is the InChIKey of 3-amino-1-(2-methylindol-1-yl)butan-2-ol?
The InChIKey is ZAJOBVXFEJZCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-7-11-5-3-4-6-12(11)15(9)8-13(16)10(2)14/h3-7,10,13,16H,8,14H2,1-2H3.
What are the key properties of 3-amino-1-(2-methylindol-1-yl)butan-2-ol?
3-amino-1-(2-methylindol-1-yl)butan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylindol-1-yl)butan-2-ol is sourced from PubChem (CID 67714768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).