1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol

C14H20BrNO — CID 117201169

IUPAC1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
SMILESCCN1c2ccc(Br)cc2CC1CC(C)(C)O
InChIInChI=1S/C14H20BrNO/c1-4-16-12(9-14(2,3)17)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,4,8-9H2,1-3H3
InChIKeyDRWBHMVUGZTUAB-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.36
Rot. Bonds3

About 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol

1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol (PubChem CID 117201169) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
PubChem CID117201169
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
SMILESCCN1c2ccc(Br)cc2CC1CC(C)(C)O
InChIInChI=1S/C14H20BrNO/c1-4-16-12(9-14(2,3)17)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,4,8-9H2,1-3H3
InChIKeyDRWBHMVUGZTUAB-UHFFFAOYSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol (CID 117201169) is 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol is CCN1c2ccc(Br)cc2CC1CC(C)(C)O.
What is the InChIKey of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
The InChIKey is DRWBHMVUGZTUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-4-16-12(9-14(2,3)17)8-10-7-11(15)5-6-13(10)16/h5-7,12,17H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol?
1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol has a molecular weight of 298.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1-ethyl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117201169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).