N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid

C20H22N2O5 — CID 25021298

IUPACN-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCNCCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-19-10-9-15-12-20-18-8-7-16(11-17(15)18)21-13-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-8,11-12,19-20H,9-10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyYBAUEULZSLJRIJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid

N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid (PubChem CID 25021298) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
PubChem CID25021298
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
SMILESCNCCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-19-10-9-15-12-20-18-8-7-16(11-17(15)18)21-13-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-8,11-12,19-20H,9-10,13H2,1H3;(H,3,4)(H,5,6)
InChIKeyYBAUEULZSLJRIJ-UHFFFAOYSA-N
XLogP2.66
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The IUPAC name of N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid (CID 25021298) is N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid.
What is the SMILES notation for N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The canonical SMILES for N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid is CNCCc1c[nH]c2ccc(OCc3ccccc3)cc12.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid?
The InChIKey is YBAUEULZSLJRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C2H2O4/c1-19-10-9-15-12-20-18-8-7-16(11-17(15)18)21-13-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-8,11-12,19-20H,9-10,13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid?
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid has a molecular weight of 370.41 g/mol, XLogP of 2.66, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid is sourced from PubChem (CID 25021298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).