4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol

C15H22N2O3 — CID 154090543

IUPAC4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
SMILESCc1c(O)[nH]c2cccc(OCC(O)CNC(C)C)c12
InChIInChI=1S/C15H22N2O3/c1-9(2)16-7-11(18)8-20-13-6-4-5-12-14(13)10(3)15(19)17-12/h4-6,9,11,16-19H,7-8H2,1-3H3
InChIKeyWSSVOCNPPXDMBW-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.92
Rot. Bonds6

About 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol

4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol (PubChem CID 154090543) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
PubChem CID154090543
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
SMILESCc1c(O)[nH]c2cccc(OCC(O)CNC(C)C)c12
InChIInChI=1S/C15H22N2O3/c1-9(2)16-7-11(18)8-20-13-6-4-5-12-14(13)10(3)15(19)17-12/h4-6,9,11,16-19H,7-8H2,1-3H3
InChIKeyWSSVOCNPPXDMBW-UHFFFAOYSA-N
XLogP1.92
TPSA77.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 3072982
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
CID 154122806
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol
CID 71374364
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
3-bromoprop-1-yne;1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;3-(9H-carbazol-4-yloxy)-N-propan-2-yl-2-prop-2-ynoxypropan-1-amine
CID 157267865
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol?
The IUPAC name of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol (CID 154090543) is 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol.
What is the SMILES notation for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol?
The canonical SMILES for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol is Cc1c(O)[nH]c2cccc(OCC(O)CNC(C)C)c12.
What is the InChIKey of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol?
The InChIKey is WSSVOCNPPXDMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)16-7-11(18)8-20-13-6-4-5-12-14(13)10(3)15(19)17-12/h4-6,9,11,16-19H,7-8H2,1-3H3.
What are the key properties of 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol?
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol has a molecular weight of 278.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol is sourced from PubChem (CID 154090543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).