3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol

C14H20N2O — CID 71748984

IUPAC3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
SMILES[2H]C([2H])(c1c[nH]c2cccc(O)c12)C([2H])([2H])N(CC)CC
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3/i8D2,9D2
InChIKeyOHHYMKDBKJPILO-LZMSFWOYSA-N
MW236.35 g/mol
LogP2.76
Rot. Bonds5

About 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol

3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol (PubChem CID 71748984) has the molecular formula C14H20N2O and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol.

Molecular Properties

Compound Name3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
PubChem CID71748984
Molecular FormulaC14H20N2O
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
SMILES[2H]C([2H])(c1c[nH]c2cccc(O)c12)C([2H])([2H])N(CC)CC
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3/i8D2,9D2
InChIKeyOHHYMKDBKJPILO-LZMSFWOYSA-N
XLogP2.76
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
CID 165362448
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
methane;1,1,2,2-tetradeuterio-2-(4-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine
CID 163558839
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
3-[2,2-dideuterio-2-(2,2,4,4-tetradeuterioazetidin-1-yl)ethyl]-1H-indol-4-ol
CID 169286743
[3-[1,1,2,2-tetradeuterio-2-(dimethylamino)ethyl]-1H-indol-4-yl] hydrogen phosphate
CID 168744315
ethyl 4-hydroxy-1H-indole-3-carboxylate
CID 13186947
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379

Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol?
The IUPAC name of 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol (CID 71748984) is 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol.
What is the SMILES notation for 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol?
The canonical SMILES for 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol is [2H]C([2H])(c1c[nH]c2cccc(O)c12)C([2H])([2H])N(CC)CC.
What is the InChIKey of 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol?
The InChIKey is OHHYMKDBKJPILO-LZMSFWOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16(4-2)9-8-11-10-15-12-6-5-7-13(17)14(11)12/h5-7,10,15,17H,3-4,8-9H2,1-2H3/i8D2,9D2.
What are the key properties of 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol?
3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol has a molecular weight of 236.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol is sourced from PubChem (CID 71748984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).