2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol

C16H26N2O — CID 66336364

IUPAC2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1c2ccccc2CC1C
InChIInChI=1S/C16H26N2O/c1-12(2)17-10-16(4,19)11-18-13(3)9-14-7-5-6-8-15(14)18/h5-8,12-13,17,19H,9-11H2,1-4H3
InChIKeyNGLFGJQARGSEJF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.19
Rot. Bonds5

About 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol

2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66336364) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID66336364
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN1c2ccccc2CC1C
InChIInChI=1S/C16H26N2O/c1-12(2)17-10-16(4,19)11-18-13(3)9-14-7-5-6-8-15(14)18/h5-8,12-13,17,19H,9-11H2,1-4H3
InChIKeyNGLFGJQARGSEJF-UHFFFAOYSA-N
XLogP2.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
2-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-propylbutan-1-amine
CID 63482331
2-(2-methyl-2,3-dihydroindol-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425147
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
N-(3-methylbutan-2-yl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 86908313
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
CID 62044766
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
N-butan-2-yl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 47106290
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]butanamide;dihydrochloride
CID 119868408
1-[(2-methyl-2,3-dihydroindol-1-yl)methyl]cyclopropan-1-amine
CID 65458877
2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200023
1-(1,3-dihydroisoindol-2-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7764901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol (CID 66336364) is 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN1c2ccccc2CC1C.
What is the InChIKey of 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is NGLFGJQARGSEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)17-10-16(4,19)11-18-13(3)9-14-7-5-6-8-15(14)18/h5-8,12-13,17,19H,9-11H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66336364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).