1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol

C20H33N3O3 — CID 165412095

IUPAC1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CC(O)CNC(C)C)c2[nH]ccc12
InChIInChI=1S/C20H33N3O3/c1-13(2)22-10-16(24)9-15-5-6-19(18-7-8-21-20(15)18)26-12-17(25)11-23-14(3)4/h5-8,13-14,16-17,21-25H,9-12H2,1-4H3
InChIKeySOZGEQKDRUNVAD-UHFFFAOYSA-N
MW363.50 g/mol
LogP1.81
Rot. Bonds11

About 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol

1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 165412095) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol
PubChem CID165412095
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc(CC(O)CNC(C)C)c2[nH]ccc12
InChIInChI=1S/C20H33N3O3/c1-13(2)22-10-16(24)9-15-5-6-19(18-7-8-21-20(15)18)26-12-17(25)11-23-14(3)4/h5-8,13-14,16-17,21-25H,9-12H2,1-4H3
InChIKeySOZGEQKDRUNVAD-UHFFFAOYSA-N
XLogP1.81
TPSA89.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(4-aminonaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 90672310
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-9H-carbazol-1-ol
CID 56620754
1-(2,4-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 2919059

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol (CID 165412095) is 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc(CC(O)CNC(C)C)c2[nH]ccc12.
What is the InChIKey of 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SOZGEQKDRUNVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-13(2)22-10-16(24)9-15-5-6-19(18-7-8-21-20(15)18)26-12-17(25)11-23-14(3)4/h5-8,13-14,16-17,21-25H,9-12H2,1-4H3.
What are the key properties of 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol?
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 363.50 g/mol, XLogP of 1.81, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indol-7-yl]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 165412095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).