1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

C21H26N2O — CID 2896665

IUPAC1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(NCC(O)Cn2c(C)c(C)c3ccccc32)c1
InChIInChI=1S/C21H26N2O/c1-14-9-10-15(2)20(11-14)22-12-18(24)13-23-17(4)16(3)19-7-5-6-8-21(19)23/h5-11,18,22,24H,12-13H2,1-4H3
InChIKeyPPGLIDDMFSTLOC-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.35
Rot. Bonds5

About 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol

1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (PubChem CID 2896665) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
PubChem CID2896665
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
SMILESCc1ccc(C)c(NCC(O)Cn2c(C)c(C)c3ccccc32)c1
InChIInChI=1S/C21H26N2O/c1-14-9-10-15(2)20(11-14)22-12-18(24)13-23-17(4)16(3)19-7-5-6-8-21(19)23/h5-11,18,22,24H,12-13H2,1-4H3
InChIKeyPPGLIDDMFSTLOC-UHFFFAOYSA-N
XLogP4.35
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dimethylindol-1-yl)-3-(naphthalen-1-ylamino)propan-2-ol chloride
CID 21235133
(2S)-1-(2,3-dimethylindol-1-yl)-3-(2-methoxyanilino)propan-2-ol
CID 703578
1-anilino-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 2897460
1-(2,3-dimethylindol-1-yl)-3-(4-methoxyanilino)propan-2-ol
CID 2896322
1-(2,3-dimethylindol-1-yl)-3-(2-phenylethylamino)propan-2-ol
CID 3635534
1-(2,5-dimethylanilino)-3-(2,3-diphenylbenzo[g]indol-1-yl)propan-2-ol
CID 21235184
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
(2R)-1-(cyclohexylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708305
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
1-(2,3-dimethylindol-1-yl)-3-(oxolan-2-ylmethylamino)propan-2-ol
CID 2939173
(2S)-1-(diethylamino)-3-(2,3-dimethylindol-1-yl)propan-2-ol
CID 708303
(2R)-1-(cyclopentylamino)-3-(2,3,5-trimethylindol-1-yl)propan-2-ol
CID 35583838

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol (CID 2896665) is 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is Cc1ccc(C)c(NCC(O)Cn2c(C)c(C)c3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
The InChIKey is PPGLIDDMFSTLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-14-9-10-15(2)20(11-14)22-12-18(24)13-23-17(4)16(3)19-7-5-6-8-21(19)23/h5-11,18,22,24H,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol?
1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylanilino)-3-(2,3-dimethylindol-1-yl)propan-2-ol is sourced from PubChem (CID 2896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).