2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid

C19H19FN2O4 — CID 126477748

IUPAC2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
SMILESFc1ccc(CCNCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H17FN2.C2H2O4/c18-15-7-5-13(6-8-15)9-10-19-11-14-12-20-17-4-2-1-3-16(14)17;3-1(4)2(5)6/h1-8,12,19-20H,9-11H2;(H,3,4)(H,5,6)
InChIKeyFRGBBQWFUQCBJJ-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid

2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid (PubChem CID 126477748) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
PubChem CID126477748
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid
SMILESFc1ccc(CCNCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H17FN2.C2H2O4/c18-15-7-5-13(6-8-15)9-10-19-11-14-12-20-17-4-2-1-3-16(14)17;3-1(4)2(5)6/h1-8,12,19-20H,9-11H2;(H,3,4)(H,5,6)
InChIKeyFRGBBQWFUQCBJJ-UHFFFAOYSA-N
XLogP2.79
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.79
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

N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
N-benzyl-2-(1H-indol-3-yl)ethanamine;oxalic acid
CID 17367556
N-[2-(4-fluorophenyl)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109000531
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-[2-(4-fluorophenyl)ethylamino]-1-(1H-indol-3-yl)ethanone
CID 110655218
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 17053042
3-[(4-fluorophenyl)methylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109021183
4-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]benzoic acid
CID 71900120
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978
N-[2-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 7097288
(2R)-2-[(4-fluorophenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987410
2-(4-fluorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367731

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid?
The IUPAC name of 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid (CID 126477748) is 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid?
The canonical SMILES for 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid is Fc1ccc(CCNCc2c[nH]c3ccccc23)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid?
The InChIKey is FRGBBQWFUQCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2.C2H2O4/c18-15-7-5-13(6-8-15)9-10-19-11-14-12-20-17-4-2-1-3-16(14)17;3-1(4)2(5)6/h1-8,12,19-20H,9-11H2;(H,3,4)(H,5,6).
What are the key properties of 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid?
2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid has a molecular weight of 358.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)ethanamine;oxalic acid is sourced from PubChem (CID 126477748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).