2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol

C13H18N2O — CID 82493660

IUPAC2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
SMILESCc1ccc2c(C(O)CN)c(C)n(C)c2c1
InChIInChI=1S/C13H18N2O/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6,12,16H,7,14H2,1-3H3
InChIKeyQLFJXMPETWOOGL-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol

2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol (PubChem CID 82493660) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
PubChem CID82493660
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
SMILESCc1ccc2c(C(O)CN)c(C)n(C)c2c1
InChIInChI=1S/C13H18N2O/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6,12,16H,7,14H2,1-3H3
InChIKeyQLFJXMPETWOOGL-UHFFFAOYSA-N
XLogP1.79
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol 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

(1R)-2-amino-1-(1,2-dimethylindol-3-yl)ethanol
CID 95438701
2-amino-1-(7-methoxy-1,2,5-trimethylindol-3-yl)ethanol
CID 82498764
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2-amino-1-(7-fluoro-1,2-dimethylindol-3-yl)ethanol
CID 82494429
4-(1,2,6-trimethylindol-3-yl)butan-2-amine
CID 82495296
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-chloro-1-(1,2,6-trimethylindol-3-yl)ethanone
CID 935993
2-amino-1-(1,2,5-trimethylindol-3-yl)ethanone
CID 82661041
2-(1,2-dimethylindol-3-yl)-3-(3-methylphenyl)propan-1-amine
CID 83976752
2-amino-1-(2,4-dimethylphenyl)ethanol;hydrochloride
CID 137346924
2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol (CID 82493660) is 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol is Cc1ccc2c(C(O)CN)c(C)n(C)c2c1.
What is the InChIKey of 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol?
The InChIKey is QLFJXMPETWOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-5-10-11(6-8)15(3)9(2)13(10)12(16)7-14/h4-6,12,16H,7,14H2,1-3H3.
What are the key properties of 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol?
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol is sourced from PubChem (CID 82493660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).