benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium

C19H23N2O+ — CID 170723032

IUPACbenzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
SMILESC[N+](C)(CCc1c[nH]c2cccc(O)c12)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(2,14-15-7-4-3-5-8-15)12-11-16-13-20-17-9-6-10-18(22)19(16)17/h3-10,13,20H,11-12,14H2,1-2H3/p+1
InChIKeyBWGOUMVOYFTDJF-UHFFFAOYSA-O
MW295.41 g/mol
LogP3.69
Rot. Bonds5

About benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium

benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium (PubChem CID 170723032) has the molecular formula C19H23N2O+ and a molecular weight of 295.41 g/mol. Its IUPAC name is benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium.

Molecular Properties

Compound Namebenzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
PubChem CID170723032
Molecular FormulaC19H23N2O+
Molecular Weight295.41 g/mol
Exact Mass295.18
IUPAC Namebenzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium
SMILESC[N+](C)(CCc1c[nH]c2cccc(O)c12)Cc1ccccc1
InChIInChI=1S/C19H22N2O/c1-21(2,14-15-7-4-3-5-8-15)12-11-16-13-20-17-9-6-10-18(22)19(16)17/h3-10,13,20H,11-12,14H2,1-2H3/p+1
InChIKeyBWGOUMVOYFTDJF-UHFFFAOYSA-O
XLogP3.69
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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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;hydrochloride
CID 24802096
3-[2-[di(propan-2-yl)amino]ethyl]-1H-indol-4-ol;ethane
CID 163393162
3-[2-(dimethylamino)ethyl]-1H-indol-4-ol;2-hydroxypropanoic acid
CID 175999379
3-[2-(dodecylamino)ethyl]-1H-indol-4-ol
CID 167346455
3-[2-(azetidin-1-yl)ethyl]-1H-indol-4-ol
CID 166629733
2-(1H-indol-3-yl)ethyl-dimethyl-phenacylazanium
CID 11336833
3-[(propan-2-ylamino)methyl]-1H-indol-4-ol
CID 117171455
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
2-amino-3-(4-hydroxy-1H-indol-3-yl)propanoic acid
CID 589768
benzyl-dimethyl-propylazanium;boranuide
CID 173258032

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium?
The IUPAC name of benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium (CID 170723032) is benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium.
What is the SMILES notation for benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium?
The canonical SMILES for benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium is C[N+](C)(CCc1c[nH]c2cccc(O)c12)Cc1ccccc1.
What is the InChIKey of benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium?
The InChIKey is BWGOUMVOYFTDJF-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O/c1-21(2,14-15-7-4-3-5-8-15)12-11-16-13-20-17-9-6-10-18(22)19(16)17/h3-10,13,20H,11-12,14H2,1-2H3/p+1.
What are the key properties of benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium?
benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium has a molecular weight of 295.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-(4-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium is sourced from PubChem (CID 170723032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).