2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol

C14H21NO — CID 115105893

IUPAC2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
SMILESCC(C)CN1CCc2cc(CCO)ccc21
InChIInChI=1S/C14H21NO/c1-11(2)10-15-7-5-13-9-12(6-8-16)3-4-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyZYGSRFDXCTYEJO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.24
Rot. Bonds4

About 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol

2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol (PubChem CID 115105893) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
PubChem CID115105893
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
SMILESCC(C)CN1CCc2cc(CCO)ccc21
InChIInChI=1S/C14H21NO/c1-11(2)10-15-7-5-13-9-12(6-8-16)3-4-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3
InChIKeyZYGSRFDXCTYEJO-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105768
N-methyl-1-[1-(2-methylpropyl)-2,3-dihydroindol-6-yl]methanamine
CID 115105770
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307
(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
1-(2,4-dimethylpentyl)-2,3-dihydroindole-5-carboxylic acid
CID 114200376
6-(difluoromethyl)-1-(2-methylpropyl)-2,3-dihydroindole
CID 174880450
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
2-amino-2-[(5-octyl-2,3-dihydroindol-1-yl)methyl]propane-1,3-diol
CID 46194745
N-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-5-yl]acetamide
CID 71811900
(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene
CID 102246990
methyl 2-amino-3-(1-ethyl-2,3-dihydroindol-5-yl)propanoate
CID 170884528

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol (CID 115105893) is 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol is CC(C)CN1CCc2cc(CCO)ccc21.
What is the InChIKey of 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol?
The InChIKey is ZYGSRFDXCTYEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)10-15-7-5-13-9-12(6-8-16)3-4-14(13)15/h3-4,9,11,16H,5-8,10H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol?
2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol is sourced from PubChem (CID 115105893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).