2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol

C17H30N2O — CID 62639906

IUPAC2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCN(C)C(C)C)CC(C)(C)CC2O
InChIInChI=1S/C17H30N2O/c1-12(2)18(6)7-8-19-13(3)9-14-15(19)10-17(4,5)11-16(14)20/h9,12,16,20H,7-8,10-11H2,1-6H3
InChIKeyOTONFAYJRJYAKX-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.14
Rot. Bonds4

About 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol

2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol (PubChem CID 62639906) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
PubChem CID62639906
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol
SMILESCc1cc2c(n1CCN(C)C(C)C)CC(C)(C)CC2O
InChIInChI=1S/C17H30N2O/c1-12(2)18(6)7-8-19-13(3)9-14-15(19)10-17(4,5)11-16(14)20/h9,12,16,20H,7-8,10-11H2,1-6H3
InChIKeyOTONFAYJRJYAKX-UHFFFAOYSA-N
XLogP3.14
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol with MolForge

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Related Compounds

1-Hydroxy-2-dimethylaminomethyl-9-methyl-1,2,3,4-tetrahydrocarbazole
CID 3027993
1-(4-fluorophenyl)-2,6,6-trimethyl-5,7-dihydro-4H-indol-4-ol
CID 13522600
2,6,6-trimethyl-1-(3,3,3-trifluoropropyl)-5,7-dihydro-4H-indol-4-ol
CID 55176112
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5,6,7-tetrahydroindol-4-ol
CID 55261468
1-[(4-fluorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 61970678
2-Methyl-1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindol-4-ol
CID 61970719
2,6,6-trimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indol-4-ol
CID 61970720
6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indol-4-ol
CID 61970722
1-(3-fluoro-4-methylphenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 61970873
1-[1-(3-Fluorophenyl)ethyl]-2-methyl-4,5,6,7-tetrahydroindol-4-ol
CID 61971117
1-[1-(3-Fluorophenyl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
CID 61971118
1-(2,5-difluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
CID 61971290

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol (CID 62639906) is 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol is Cc1cc2c(n1CCN(C)C(C)C)CC(C)(C)CC2O.
What is the InChIKey of 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol?
The InChIKey is OTONFAYJRJYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)18(6)7-8-19-13(3)9-14-15(19)10-17(4,5)11-16(14)20/h9,12,16,20H,7-8,10-11H2,1-6H3.
What are the key properties of 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol?
2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol has a molecular weight of 278.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 62639906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).