1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol

C12H16N2O2 — CID 163771819

IUPAC1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCc1cc2c(OCC(O)CN)cccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-8-5-10-11(14-8)3-2-4-12(10)16-7-9(15)6-13/h2-5,9,14-15H,6-7,13H2,1H3
InChIKeyMHCCHOFKNXLCHA-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.17
Rot. Bonds4

About 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol

1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (PubChem CID 163771819) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
PubChem CID163771819
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCc1cc2c(OCC(O)CN)cccc2[nH]1
InChIInChI=1S/C12H16N2O2/c1-8-5-10-11(14-8)3-2-4-12(10)16-7-9(15)6-13/h2-5,9,14-15H,6-7,13H2,1H3
InChIKeyMHCCHOFKNXLCHA-UHFFFAOYSA-N
XLogP1.17
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3763936
(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 1490629
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
ethyl 2-[(2-methyl-1H-indol-4-yl)oxy]acetate;2-methyl-1H-indol-4-ol
CID 158401862
1-[3-(1-benzothiophen-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 70118182
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
(2S)-1-[(2S,4S)-4-(6-fluoro-1-benzothiophen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 58760038
1-amino-3-(2,6-dimethylphenoxy)propan-2-ol;chloride;hydrate
CID 53314058
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
(2S)-1-[(2-methyl-1H-indol-4-yl)oxy]-3-[(2R,4R)-2-methyl-4-(6-methyl-1-benzothiophen-2-yl)piperidin-1-yl]propan-2-ol
CID 58760064
1-[(2S)-4-(8-methoxynaphthalen-2-yl)-2-methylpiperidin-1-yl]-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 142072036

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The IUPAC name of 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (CID 163771819) is 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is Cc1cc2c(OCC(O)CN)cccc2[nH]1.
What is the InChIKey of 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The InChIKey is MHCCHOFKNXLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-10-11(14-8)3-2-4-12(10)16-7-9(15)6-13/h2-5,9,14-15H,6-7,13H2,1H3.
What are the key properties of 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol has a molecular weight of 220.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 163771819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).