2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid

C21H24N2O6 — CID 19042892

IUPAC2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
SMILESCOc1ccc(Oc2ccc3[nH]cc(CCN(C)C)c3c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2O2.C2H2O4/c1-21(2)11-10-14-13-20-19-9-8-17(12-18(14)19)23-16-6-4-15(22-3)5-7-16;3-1(4)2(5)6/h4-9,12-13,20H,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyBNBHLECUWSQWLJ-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.23
Rot. Bonds6

About 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid

2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid (PubChem CID 19042892) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
PubChem CID19042892
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
SMILESCOc1ccc(Oc2ccc3[nH]cc(CCN(C)C)c3c2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C19H22N2O2.C2H2O4/c1-21(2)11-10-14-13-20-19-9-8-17(12-18(14)19)23-16-6-4-15(22-3)5-7-16;3-1(4)2(5)6/h4-9,12-13,20H,10-11H2,1-3H3;(H,3,4)(H,5,6)
InChIKeyBNBHLECUWSQWLJ-UHFFFAOYSA-N
XLogP3.23
TPSA112.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
bis[1-(dimethylamino)-2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]ethyl] oxalate
CID 57035851
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid (CID 19042892) is 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid is COc1ccc(Oc2ccc3[nH]cc(CCN(C)C)c3c2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is BNBHLECUWSQWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2.C2H2O4/c1-21(2)11-10-14-13-20-19-9-8-17(12-18(14)19)23-16-6-4-15(22-3)5-7-16;3-1(4)2(5)6/h4-9,12-13,20H,10-11H2,1-3H3;(H,3,4)(H,5,6).
What are the key properties of 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid?
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 400.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 19042892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).