1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol

C21H26N2O — CID 3635534

IUPAC1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
SMILESCc1c(C)n(CC(O)CNCCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H26N2O/c1-16-17(2)23(21-11-7-6-10-20(16)21)15-19(24)14-22-13-12-18-8-4-3-5-9-18/h3-11,19,22,24H,12-15H2,1-2H3
InChIKeyUYEBZMBMRMWPHP-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.45
Rot. Bonds7

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

1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol (PubChem CID 3635534) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
PubChem CID3635534
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
SMILESCc1c(C)n(CC(O)CNCCc2ccccc2)c2ccccc12
InChIInChI=1S/C21H26N2O/c1-16-17(2)23(21-11-7-6-10-20(16)21)15-19(24)14-22-13-12-18-8-4-3-5-9-18/h3-11,19,22,24H,12-15H2,1-2H3
InChIKeyUYEBZMBMRMWPHP-UHFFFAOYSA-N
XLogP3.45
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,6-dichlorocarbazol-9-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3962134
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 2896665
1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
1-(2,3-dimethylindol-1-yl)-3-(4-methoxyanilino)propan-2-ol
CID 2896322
(2S)-1-(2,3-dimethylindol-1-yl)-3-(2-methoxyanilino)propan-2-ol
CID 703578
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149
1-(2-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 23153227
1-[bis(2-hydroxyethyl)amino]-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 4053072

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol (CID 3635534) is 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol is Cc1c(C)n(CC(O)CNCCc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol?
The InChIKey is UYEBZMBMRMWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-17(2)23(21-11-7-6-10-20(16)21)15-19(24)14-22-13-12-18-8-4-3-5-9-18/h3-11,19,22,24H,12-15H2,1-2H3.
What are the key properties of 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol?
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol is sourced from PubChem (CID 3635534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).