2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol

C12H16N2O2 — CID 82278870

IUPAC2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
SMILESCOc1ccc2c(C(O)CN)cn(C)c2c1
InChIInChI=1S/C12H16N2O2/c1-14-7-10(12(15)6-13)9-4-3-8(16-2)5-11(9)14/h3-5,7,12,15H,6,13H2,1-2H3
InChIKeyRHFVDUOQRYTNLZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol

2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol (PubChem CID 82278870) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
PubChem CID82278870
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol
SMILESCOc1ccc2c(C(O)CN)cn(C)c2c1
InChIInChI=1S/C12H16N2O2/c1-14-7-10(12(15)6-13)9-4-3-8(16-2)5-11(9)14/h3-5,7,12,15H,6,13H2,1-2H3
InChIKeyRHFVDUOQRYTNLZ-UHFFFAOYSA-N
XLogP1.18
TPSA60.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-amino-1-(6-chloro-1-methylindol-3-yl)ethanol
CID 95433072
1-(5-methoxy-1-methylindol-3-yl)ethane-1,2-diamine
CID 170894776
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
2-amino-1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 82278863
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
2-(4,6-dimethoxy-1-methylindol-3-yl)propan-1-amine
CID 82498789
3-amino-3-(5-methoxy-1-methylindol-3-yl)propan-1-ol
CID 170875278
2-amino-1-(4-methoxy-2-methylsulfanylphenyl)ethanol
CID 84782931
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
[2-(6-methoxy-1-methylindol-3-yl)-4-pyridinyl]methanamine
CID 115114129

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol (CID 82278870) is 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol is COc1ccc2c(C(O)CN)cn(C)c2c1.
What is the InChIKey of 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol?
The InChIKey is RHFVDUOQRYTNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-7-10(12(15)6-13)9-4-3-8(16-2)5-11(9)14/h3-5,7,12,15H,6,13H2,1-2H3.
What are the key properties of 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol?
2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol has a molecular weight of 220.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-methoxy-1-methylindol-3-yl)ethanol is sourced from PubChem (CID 82278870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).