1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

C18H28N2O3 — CID 17028427

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN(CCO)CCO
InChIInChI=1S/C18H28N2O3/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(23)11-19(6-8-21)7-9-22/h4-5,10,16,21-23H,6-9,11-12H2,1-3H3
InChIKeyFINIYVIRIUXIBZ-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.21
Rot. Bonds8

About 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol

1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (PubChem CID 17028427) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
PubChem CID17028427
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN(CCO)CCO
InChIInChI=1S/C18H28N2O3/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(23)11-19(6-8-21)7-9-22/h4-5,10,16,21-23H,6-9,11-12H2,1-3H3
InChIKeyFINIYVIRIUXIBZ-UHFFFAOYSA-N
XLogP1.21
TPSA68.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.21
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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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol (CID 17028427) is 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol is Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN(CCO)CCO.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
The InChIKey is FINIYVIRIUXIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(23)11-19(6-8-21)7-9-22/h4-5,10,16,21-23H,6-9,11-12H2,1-3H3.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol?
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol has a molecular weight of 320.43 g/mol, XLogP of 1.21, 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-(2,3,5-trimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 17028427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).