2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid

C20H22N2O5 — CID 17053042

IUPAC2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18;3-1(4)2(5)6/h2-9,13,19-20H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyKVQKDQODGOXILB-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.66
Rot. Bonds6

About 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid (PubChem CID 17053042) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
PubChem CID17053042
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CNCCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C18H20N2O.C2H2O4/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18;3-1(4)2(5)6/h2-9,13,19-20H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyKVQKDQODGOXILB-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

N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 17053017
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17054413
3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanethioamide
CID 89150467
2-(1H-indol-3-yl)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17054412
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
2-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;hydrobromide
CID 75531299
5-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]thiophene-2-carboxylic acid
CID 69094666

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid (CID 17053042) is 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid is COc1ccc(CNCCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is KVQKDQODGOXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C2H2O4/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18;3-1(4)2(5)6/h2-9,13,19-20H,10-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid?
2-(1H-indol-3-yl)-N-[(4-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-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17053042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).