1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

C14H22N2O2 — CID 3061528

IUPAC1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2c1CCN2
InChIInChI=1S/C14H22N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15-17H,6-9H2,1-2H3
InChIKeyDHDYCPVWISCFDV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.39
Rot. Bonds6

About 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 3061528) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID3061528
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc2c1CCN2
InChIInChI=1S/C14H22N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15-17H,6-9H2,1-2H3
InChIKeyDHDYCPVWISCFDV-UHFFFAOYSA-N
XLogP1.39
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 3061528) is 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1cccc2c1CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is DHDYCPVWISCFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-5,10-11,15-17H,6-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 3061528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).