1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol

C14H21NO — CID 62044766

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
SMILESCCCC(O)CN1c2ccccc2CC1C
InChIInChI=1S/C14H21NO/c1-3-6-13(16)10-15-11(2)9-12-7-4-5-8-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyZCNKPUCEILKXNP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds4

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

1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol (PubChem CID 62044766) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
PubChem CID62044766
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol
SMILESCCCC(O)CN1c2ccccc2CC1C
InChIInChI=1S/C14H21NO/c1-3-6-13(16)10-15-11(2)9-12-7-4-5-8-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3
InChIKeyZCNKPUCEILKXNP-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]pentan-1-amine
CID 65228439
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
2-ethoxy-3-(2-methyl-2,3-dihydroindol-1-yl)propanoic acid
CID 63067031
1-(3,4-difluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82217088
1-(3,3-diethoxypropyl)-2-methyl-2,3-dihydroindole
CID 63628082
1-cyclopentyl-2-(2-methyl-2,3-dihydroindol-1-yl)ethanamine
CID 113447993
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 110897176
3,3,3-trifluoro-2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]propanethioamide
CID 103368487
3-(2-methyl-2,3-dihydroindol-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 62623099
5-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-amine
CID 81101497
2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 54242402
1-(4-fluoro-3-methylphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)ethanol
CID 82216735

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol (CID 62044766) is 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol is CCCC(O)CN1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol?
The InChIKey is ZCNKPUCEILKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-6-13(16)10-15-11(2)9-12-7-4-5-8-14(12)15/h4-5,7-8,11,13,16H,3,6,9-10H2,1-2H3.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol?
1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)pentan-2-ol is sourced from PubChem (CID 62044766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).