1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

C18H26N2O2 — CID 2939173

IUPAC1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCc1c(C)n(CC(O)CNCC2CCCO2)c2ccccc12
InChIInChI=1S/C18H26N2O2/c1-13-14(2)20(18-8-4-3-7-17(13)18)12-15(21)10-19-11-16-6-5-9-22-16/h3-4,7-8,15-16,19,21H,5-6,9-12H2,1-2H3
InChIKeyLITRHYXJMAYHDP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.39
Rot. Bonds6

About 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol

1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (PubChem CID 2939173) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
PubChem CID2939173
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
SMILESCc1c(C)n(CC(O)CNCC2CCCO2)c2ccccc12
InChIInChI=1S/C18H26N2O2/c1-13-14(2)20(18-8-4-3-7-17(13)18)12-15(21)10-19-11-16-6-5-9-22-16/h3-4,7-8,15-16,19,21H,5-6,9-12H2,1-2H3
InChIKeyLITRHYXJMAYHDP-UHFFFAOYSA-N
XLogP2.39
TPSA46.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-carbazol-9-yl-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 782148
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[[(2S)-oxolan-2-yl]methylamino]propan-2-ol
CID 991224
1-(3,6-dichlorocarbazol-9-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 3129553
9-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 1085881
9-[2-hydroxy-3-(oxolan-2-ylmethylamino)propyl]-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3737826
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
(2S)-1-(5,7-dimethyl-2,3-diphenylindol-1-yl)-3-[[(2R)-oxolan-2-yl]methylamino]propan-2-ol
CID 41141115
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
N-[(1,3-dimethylindol-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 107235527
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol (CID 2939173) is 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is Cc1c(C)n(CC(O)CNCC2CCCO2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
The InChIKey is LITRHYXJMAYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-14(2)20(18-8-4-3-7-17(13)18)12-15(21)10-19-11-16-6-5-9-22-16/h3-4,7-8,15-16,19,21H,5-6,9-12H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol has a molecular weight of 302.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol is sourced from PubChem (CID 2939173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).