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

C16H24N2O3 — CID 3763936

IUPAC1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCOCCCNCC(O)COc1cccc2[nH]c(C)cc12
InChIInChI=1S/C16H24N2O3/c1-12-9-14-15(18-12)5-3-6-16(14)21-11-13(19)10-17-7-4-8-20-2/h3,5-6,9,13,17-19H,4,7-8,10-11H2,1-2H3
InChIKeyNALDNEWIXOEXNR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.84
Rot. Bonds9

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

1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (PubChem CID 3763936) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
PubChem CID3763936
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
SMILESCOCCCNCC(O)COc1cccc2[nH]c(C)cc12
InChIInChI=1S/C16H24N2O3/c1-12-9-14-15(18-12)5-3-6-16(14)21-11-13(19)10-17-7-4-8-20-2/h3,5-6,9,13,17-19H,4,7-8,10-11H2,1-2H3
InChIKeyNALDNEWIXOEXNR-UHFFFAOYSA-N
XLogP1.84
TPSA66.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(furan-2-ylmethylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 1490629
1-amino-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
CID 163771819
1-(2,6-dimethylphenoxy)-3-(4-methoxybutylamino)propan-2-ol
CID 60969294
tert-butyl-[(2R)-2-hydroxy-3-[(2-methyl-1H-indol-4-yl)oxy]propyl]azanium
CID 7085884
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-[[2-(methoxymethyl)-1H-indol-4-yl]oxy]-3-(propan-2-ylamino)propan-2-ol
CID 154122806
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
CID 163589000
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The IUPAC name of 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol (CID 3763936) is 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The canonical SMILES for 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is COCCCNCC(O)COc1cccc2[nH]c(C)cc12.
What is the InChIKey of 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
The InChIKey is NALDNEWIXOEXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-9-14-15(18-12)5-3-6-16(14)21-11-13(19)10-17-7-4-8-20-2/h3,5-6,9,13,17-19H,4,7-8,10-11H2,1-2H3.
What are the key properties of 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol?
1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol has a molecular weight of 292.38 g/mol, XLogP of 1.84, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 3763936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).