2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid

C20H22N2O5 — CID 126477720

IUPAC2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1cccc(CNCCc2c[nH]c3ccccc23)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-21-16-6-4-5-14(11-16)12-19-10-9-15-13-20-18-8-3-2-7-17(15)18;3-1(4)2(5)6/h2-8,11,13,19-20H,9-10,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyAXYXJIYESLRMQJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.66
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid

2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid (PubChem CID 126477720) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
PubChem CID126477720
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1cccc(CNCCc2c[nH]c3ccccc23)c1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-21-16-6-4-5-14(11-16)12-19-10-9-15-13-20-18-8-3-2-7-17(15)18;3-1(4)2(5)6/h2-8,11,13,19-20H,9-10,12H2,1H3;(H,3,4)(H,5,6)
InChIKeyAXYXJIYESLRMQJ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000852
N'-[2-(1H-indol-3-yl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948641
2-(1H-indol-3-yl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295021
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616
3-[2-(3-methoxyphenyl)ethyl]-1H-indole
CID 22038177
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 17053017
2-(5-methoxy-1H-indol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 21071638
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-[(3-methoxyphenyl)methyl]-methylazanium
CID 8789196
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid (CID 126477720) is 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid is COc1cccc(CNCCc2c[nH]c3ccccc23)c1.O=C(O)C(=O)O.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is AXYXJIYESLRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C2H2O4/c1-21-16-6-4-5-14(11-16)12-19-10-9-15-13-20-18-8-3-2-7-17(15)18;3-1(4)2(5)6/h2-8,11,13,19-20H,9-10,12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid?
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]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 2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 126477720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).