2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol

C13H18N2O — CID 83859878

IUPAC2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
SMILESCc1c(C(N)CO)n(C)c2c(C)cccc12
InChIInChI=1S/C13H18N2O/c1-8-5-4-6-10-9(2)13(11(14)7-16)15(3)12(8)10/h4-6,11,16H,7,14H2,1-3H3
InChIKeyHDCRQSORPWWZPY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol

2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol (PubChem CID 83859878) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
PubChem CID83859878
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol
SMILESCc1c(C(N)CO)n(C)c2c(C)cccc12
InChIInChI=1S/C13H18N2O/c1-8-5-4-6-10-9(2)13(11(14)7-16)15(3)12(8)10/h4-6,11,16H,7,14H2,1-3H3
InChIKeyHDCRQSORPWWZPY-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'}

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Related Compounds

Indole, 14
CID 44473055
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-(3-(trifluoromethyl)phenyl)propan-2-ol
CID 45483068
(1S,2R)-1-(3-fluorophenyl)-1-(7-methyl-1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483079
(1S,2R)-1-(1H-indol-1-yl)-3-(methylamino)-1-m-tolylpropan-2-ol
CID 45483112
Indole-3-methanol, 1-ethyl-alpha-((methylamino)methyl)-
CID 21215
Indole-3-methanol, 1-methyl-alpha-((methylamino)methyl)-
CID 41502
(1R,12bR)-1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizin-1-ol
CID 12868332
2-(1-Methyl-2-phenyl-3-indolyl)ethanol
CID 784721
(1S,2S)-3-(methylamino)-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol
CID 45486621
(1S,2S)-3-amino-1-(3-methylindol-1-yl)-1-phenylpropan-2-ol
CID 45486628
3-[3-(Hydroxymethyl)-2-methyl-1H-indol-1-yl]propanamide
CID 21386750
2-[3-(Hydroxymethyl)-2-methyl-1H-indol-1-yl]acetamide
CID 21386785

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol?
The IUPAC name of 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol (CID 83859878) is 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol is Cc1c(C(N)CO)n(C)c2c(C)cccc12.
What is the InChIKey of 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol?
The InChIKey is HDCRQSORPWWZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-5-4-6-10-9(2)13(11(14)7-16)15(3)12(8)10/h4-6,11,16H,7,14H2,1-3H3.
What are the key properties of 2-amino-2-(1,3,7-trimethylindol-2-yl)ethanol?
2-amino-2-(1,3,7-trimethylindol-2-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-2-(1,3,7-trimethylindol-2-yl)ethanol is sourced from PubChem (CID 83859878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).