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

C14H22N2O — CID 43165785

IUPAC1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN1CCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-13(17)10-16-8-7-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyLVWGUWGQRKSOBP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.41
Rot. Bonds5

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

1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43165785) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID43165785
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CN1CCc2ccccc21
InChIInChI=1S/C14H22N2O/c1-11(2)15-9-13(17)10-16-8-7-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3
InChIKeyLVWGUWGQRKSOBP-UHFFFAOYSA-N
XLogP1.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 63466178
1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-hydroxy-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 11726069
1-(2,3-dihydroindol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 138959489
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-cyclopentyl-2-(2,3-dihydroindol-1-yl)ethanol
CID 104752368
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
CID 43367984
1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol (CID 43165785) is 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CN1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is LVWGUWGQRKSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)15-9-13(17)10-16-8-7-12-5-3-4-6-14(12)16/h3-6,11,13,15,17H,7-10H2,1-2H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol?
1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43165785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).