1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol

C23H30N2O3 — CID 132765696

IUPAC1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCc1c(C)n(CC(O)CN(C)Cc2ccc(OCCO)cc2)c2ccccc12
InChIInChI=1S/C23H30N2O3/c1-17-18(2)25(23-7-5-4-6-22(17)23)16-20(27)15-24(3)14-19-8-10-21(11-9-19)28-13-12-26/h4-11,20,26-27H,12-16H2,1-3H3
InChIKeyPPLUPUXDPZKAPG-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.12
Rot. Bonds9

About 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol

1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol (PubChem CID 132765696) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
PubChem CID132765696
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
SMILESCc1c(C)n(CC(O)CN(C)Cc2ccc(OCCO)cc2)c2ccccc12
InChIInChI=1S/C23H30N2O3/c1-17-18(2)25(23-7-5-4-6-22(17)23)16-20(27)15-24(3)14-19-8-10-21(11-9-19)28-13-12-26/h4-11,20,26-27H,12-16H2,1-3H3
InChIKeyPPLUPUXDPZKAPG-UHFFFAOYSA-N
XLogP3.12
TPSA57.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[[[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132767291
(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129457241
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
1-[[4-(2-ethoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 132779489
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-methoxyanilino)propan-2-ol
CID 2896322
(2S)-1-(2,4-dimethylphenoxy)-3-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]propan-2-ol
CID 129457349
(2S)-1-[benzyl(methyl)amino]-3-[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 42342616
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
(2R)-1-carbazol-9-yl-3-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl-(3-hydroxypropyl)amino]propan-2-ol
CID 129455263

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol (CID 132765696) is 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol is Cc1c(C)n(CC(O)CN(C)Cc2ccc(OCCO)cc2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
The InChIKey is PPLUPUXDPZKAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-17-18(2)25(23-7-5-4-6-22(17)23)16-20(27)15-24(3)14-19-8-10-21(11-9-19)28-13-12-26/h4-11,20,26-27H,12-16H2,1-3H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol has a molecular weight of 382.50 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol is sourced from PubChem (CID 132765696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).