2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid

C19H20F3NO5 — CID 17367557

IUPAC2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
SMILESCOc1ccccc1CCNCc1ccccc1C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C17H18F3NO.C2H2O4/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20;3-1(4)2(5)6/h2-9,21H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyNWYXQPJRUDGEPJ-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.20
Rot. Bonds6

About 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid (PubChem CID 17367557) has the molecular formula C19H20F3NO5 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
PubChem CID17367557
Molecular FormulaC19H20F3NO5
Molecular Weight399.37 g/mol
Exact Mass399.13
IUPAC Name2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
SMILESCOc1ccccc1CCNCc1ccccc1C(F)(F)F.O=C(O)C(=O)O
InChIInChI=1S/C17H18F3NO.C2H2O4/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20;3-1(4)2(5)6/h2-9,21H,10-12H2,1H3;(H,3,4)(H,5,6)
InChIKeyNWYXQPJRUDGEPJ-UHFFFAOYSA-N
XLogP3.20
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
2-[[2-(2-methoxyphenyl)ethylamino]methyl]benzoic acid;hydrochloride
CID 17207529
1-[(2-methoxyphenyl)methyl]-2-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 57251880
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;oxalic acid
CID 90486198
4-[[2-(2-methoxyphenyl)ethylamino]methyl]-5-methylthiophene-2-carboxylic acid
CID 106261805
2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 17367744
2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 168972893
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207210
1-[[2-(2-methoxyphenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115243096

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid (CID 17367557) is 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid is COc1ccccc1CCNCc1ccccc1C(F)(F)F.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid?
The InChIKey is NWYXQPJRUDGEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO.C2H2O4/c1-22-16-9-5-3-6-13(16)10-11-21-12-14-7-2-4-8-15(14)17(18,19)20;3-1(4)2(5)6/h2-9,21H,10-12H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid?
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid has a molecular weight of 399.37 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17367557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).