3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride

C14H21ClN2O — CID 165362448

IUPAC3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
SMILESCCN(CC)CCc1c[nH]c2cccc(O)c12.Cl
InChIInChI=1S/C14H20N2O.ClH/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;1H
InChIKeyNWPQJWUTCRJKBV-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.18
Rot. Bonds5

About 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride

3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride (PubChem CID 165362448) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride.

Molecular Properties

Compound Name3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
PubChem CID165362448
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride
SMILESCCN(CC)CCc1c[nH]c2cccc(O)c12.Cl
InChIInChI=1S/C14H20N2O.ClH/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;1H
InChIKeyNWPQJWUTCRJKBV-UHFFFAOYSA-N
XLogP3.18
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
3-[2-[3,3-difluoropropyl(methyl)amino]ethyl]-1H-indol-4-ol
CID 172624995
3-[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl]-1H-indol-4-ol
CID 71748984
ethane;N-ethyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 156836181
[3-[2-(diethylamino)ethyl]-1H-indol-4-yl] butanoate
CID 169222315
6-[[3-[2-(diethylamino)ethyl]-1H-indol-4-yl]oxy]-6-oxohexanoic acid
CID 169222299
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
3-[2-[propan-2-yl(prop-2-enyl)amino]ethyl]-1H-indol-4-ol
CID 166468740
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
CID 170723032

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride?
The IUPAC name of 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride (CID 165362448) is 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride.
What is the SMILES notation for 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride?
The canonical SMILES for 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride is CCN(CC)CCc1c[nH]c2cccc(O)c12.Cl.
What is the InChIKey of 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride?
The InChIKey is NWPQJWUTCRJKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/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;1H.
What are the key properties of 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride?
3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)ethyl]-1H-indol-4-ol;hydrochloride is sourced from PubChem (CID 165362448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).