1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride

C18H27ClN2O2 — CID 5309506

IUPAC1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(21)11-19-6-8-22-9-7-19;/h4-5,10,16,21H,6-9,11-12H2,1-3H3;1H
InChIKeyLMZRBKOHMGYJIU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.68
Rot. Bonds4

About 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride

1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride (PubChem CID 5309506) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride
PubChem CID5309506
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride
SMILESCc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(21)11-19-6-8-22-9-7-19;/h4-5,10,16,21H,6-9,11-12H2,1-3H3;1H
InChIKeyLMZRBKOHMGYJIU-UHFFFAOYSA-N
XLogP2.68
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride?
The IUPAC name of 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride (CID 5309506) is 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride is Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1.Cl.
What is the InChIKey of 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride?
The InChIKey is LMZRBKOHMGYJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13-4-5-18-17(10-13)14(2)15(3)20(18)12-16(21)11-19-6-8-22-9-7-19;/h4-5,10,16,21H,6-9,11-12H2,1-3H3;1H.
What are the key properties of 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride?
1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2,3,5-trimethylindol-1-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 5309506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).