N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid

C19H20N2O4 — CID 17367556

IUPACN-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2.C2H2O4/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17;3-1(4)2(5)6/h1-9,13,18-19H,10-12H2;(H,3,4)(H,5,6)
InChIKeyAAANLZJXSDORRY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds5

About N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid

N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid (PubChem CID 17367556) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
PubChem CID17367556
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(CNCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H18N2.C2H2O4/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17;3-1(4)2(5)6/h1-9,13,18-19H,10-12H2;(H,3,4)(H,5,6)
InChIKeyAAANLZJXSDORRY-UHFFFAOYSA-N
XLogP2.66
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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
2-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 126477720
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
CID 126477748
5-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]thiophene-2-carboxylic acid
CID 69094666
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
2-(1H-indol-3-yl)-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 66407834
(E)-3-[4-[[2-(1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enal
CID 89259735
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
2-(1H-indol-3-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamine;hydrobromide
CID 75531299
1-[2-(1H-indol-3-yl)ethylamino]propan-2-one
CID 91330877
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The IUPAC name of N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid (CID 17367556) is N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid.
What is the SMILES notation for N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The canonical SMILES for N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid is O=C(O)C(=O)O.c1ccc(CNCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid?
The InChIKey is AAANLZJXSDORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2.C2H2O4/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17;3-1(4)2(5)6/h1-9,13,18-19H,10-12H2;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid?
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid has a molecular weight of 340.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid is sourced from PubChem (CID 17367556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).