(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

C17H26N2O — CID 708303

IUPAC(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCCN(CC)C[C@H](O)Cn1c(C)c(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-18(6-2)11-15(20)12-19-14(4)13(3)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-12H2,1-4H3/t15-/m0/s1
InChIKeyCAEWJISHNSVROI-HNNXBMFYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds6

About (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 708303) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID708303
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCCN(CC)C[C@H](O)Cn1c(C)c(C)c2ccccc21
InChIInChI=1S/C17H26N2O/c1-5-18(6-2)11-15(20)12-19-14(4)13(3)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-12H2,1-4H3/t15-/m0/s1
InChIKeyCAEWJISHNSVROI-HNNXBMFYSA-N
XLogP2.96
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072
(2S)-1-(7-chloro-2,3-dimethylindol-1-yl)-3-(diethylamino)propan-2-ol
CID 42589607
(2S)-1-carbazol-9-yl-3-(dipropylamino)propan-2-ol
CID 726400
2-[3-(2,3-dimethylindol-1-yl)-2-hydroxypropyl]sulfanylphenol
CID 70694767
(2R)-1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 7110489
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-(diethylamino)propan-2-ol
CID 981296
1-(2,3-dimethylindol-1-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 3151627
1-[bis(2-hydroxyethyl)amino]-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 17028427
(2R)-1-(diethylamino)-3-(2-methyl-5-nitro-3-phenylindol-1-yl)propan-2-ol
CID 2056685
1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 132765696
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (CID 708303) is (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is CCN(CC)C[C@H](O)Cn1c(C)c(C)c2ccccc21.
What is the InChIKey of (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is CAEWJISHNSVROI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18(6-2)11-15(20)12-19-14(4)13(3)16-9-7-8-10-17(16)19/h7-10,15,20H,5-6,11-12H2,1-4H3/t15-/m0/s1.
What are the key properties of (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 708303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).