1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol

C17H26N2O3 — CID 4053072

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN(CCO)CCO)c2ccccc12
InChIInChI=1S/C17H26N2O3/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(22)11-18(7-9-20)8-10-21/h3-6,15,20-22H,7-12H2,1-2H3
InChIKeyVIMSLVLTVNXVKT-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.91
Rot. Bonds8

About 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 4053072) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID4053072
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1c(C)n(CC(O)CN(CCO)CCO)c2ccccc12
InChIInChI=1S/C17H26N2O3/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(22)11-18(7-9-20)8-10-21/h3-6,15,20-22H,7-12H2,1-2H3
InChIKeyVIMSLVLTVNXVKT-UHFFFAOYSA-N
XLogP0.91
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
1-[bis(2-hydroxyethyl)amino]-3-(7-chloro-2,3-dimethylindol-1-yl)propan-2-ol
CID 17028357
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 132765696
1-[bis(2-hydroxyethyl)amino]-3-(5-methyl-2,3-diphenylindol-1-yl)propan-2-ol
CID 4301414
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]sulfanylphenol
CID 70694767
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 7110489

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol (CID 4053072) is 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol is Cc1c(C)n(CC(O)CN(CCO)CCO)c2ccccc12.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is VIMSLVLTVNXVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-14(2)19(17-6-4-3-5-16(13)17)12-15(22)11-18(7-9-20)8-10-21/h3-6,15,20-22H,7-12H2,1-2H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 306.41 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 4053072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).