1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol

C16H24N2O3 — CID 154122806

IUPAC1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCc1cc2c(OCC(O)CNC(C)C)cccc2[nH]1
InChIInChI=1S/C16H24N2O3/c1-11(2)17-8-13(19)10-21-16-6-4-5-15-14(16)7-12(18-15)9-20-3/h4-7,11,13,17-19H,8-10H2,1-3H3
InChIKeyVCDOTVCHBQPOPN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds8

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

1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 154122806) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID154122806
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCOCc1cc2c(OCC(O)CNC(C)C)cccc2[nH]1
InChIInChI=1S/C16H24N2O3/c1-11(2)17-8-13(19)10-21-16-6-4-5-15-14(16)7-12(18-15)9-20-3/h4-7,11,13,17-19H,8-10H2,1-3H3
InChIKeyVCDOTVCHBQPOPN-UHFFFAOYSA-N
XLogP2.05
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
CID 154090543
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
[4-[2-hydroxy-3-(2-methylbutan-2-ylamino)propoxy]-1H-indol-2-yl]methyl 2,2-dimethylpropanoate
CID 23335551
1-(4-methoxynaphthalen-1-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 3015023
1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 3763936
(E)-but-2-enedioic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 6443036
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
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol (CID 154122806) is 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol is COCc1cc2c(OCC(O)CNC(C)C)cccc2[nH]1.
What is the InChIKey of 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is VCDOTVCHBQPOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)17-8-13(19)10-21-16-6-4-5-15-14(16)7-12(18-15)9-20-3/h4-7,11,13,17-19H,8-10H2,1-3H3.
What are the key properties of 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol?
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 292.38 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 154122806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).