2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol

C13H18N2O — CID 82493670

IUPAC2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
SMILESCc1ccc(C)c2c1c(C(O)CN)cn2C
InChIInChI=1S/C13H18N2O/c1-8-4-5-9(2)13-12(8)10(7-15(13)3)11(16)6-14/h4-5,7,11,16H,6,14H2,1-3H3
InChIKeyGZIIKJZMDKPYED-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol

2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol (PubChem CID 82493670) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
PubChem CID82493670
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol
SMILESCc1ccc(C)c2c1c(C(O)CN)cn2C
InChIInChI=1S/C13H18N2O/c1-8-4-5-9(2)13-12(8)10(7-15(13)3)11(16)6-14/h4-5,7,11,16H,6,14H2,1-3H3
InChIKeyGZIIKJZMDKPYED-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

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Related Compounds

2-(1,4,7-trimethylindol-3-yl)propan-1-amine
CID 82493196
1-[1-(3-aminopropyl)-4,7-dimethylindol-3-yl]ethanol
CID 83944930
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
3-methyl-2-(1,6,7-trimethylindol-3-yl)butan-1-amine
CID 82497738
1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
CID 83944914
2-(propan-2-ylamino)-1-(1,4,7-trimethylindol-3-yl)ethanone
CID 82500160
(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
2-(2-amino-1-hydroxyethyl)-6-methyl-3-propan-2-ylphenol
CID 84677143
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
2-amino-1-(1,7-dimethylindol-5-yl)ethanol
CID 84777937
(1S)-2-amino-1-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethanol
CID 96855329

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol (CID 82493670) is 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol is Cc1ccc(C)c2c1c(C(O)CN)cn2C.
What is the InChIKey of 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol?
The InChIKey is GZIIKJZMDKPYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-4-5-9(2)13-12(8)10(7-15(13)3)11(16)6-14/h4-5,7,11,16H,6,14H2,1-3H3.
What are the key properties of 2-amino-1-(1,4,7-trimethylindol-3-yl)ethanol?
2-amino-1-(1,4,7-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-(1,4,7-trimethylindol-3-yl)ethanol is sourced from PubChem (CID 82493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).