2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid

C22H22FNO5 — CID 17367744

IUPAC2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CNCCc2ccccc2F)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C20H20FNO.C2H2O4/c1-23-20-11-10-16(17-7-3-4-8-18(17)20)14-22-13-12-15-6-2-5-9-19(15)21;3-1(4)2(5)6/h2-11,22H,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyWSOSIHWFVANORC-UHFFFAOYSA-N
MW399.42 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid

2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid (PubChem CID 17367744) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
PubChem CID17367744
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC Name2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
SMILESCOc1ccc(CNCCc2ccccc2F)c2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C20H20FNO.C2H2O4/c1-23-20-11-10-16(17-7-3-4-8-18(17)20)14-22-13-12-15-6-2-5-9-19(15)21;3-1(4)2(5)6/h2-11,22H,12-14H2,1H3;(H,3,4)(H,5,6)
InChIKeyWSOSIHWFVANORC-UHFFFAOYSA-N
XLogP3.48
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 53.48
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-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)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

1-[2-(2-fluorophenyl)ethyl]-4-methoxynaphthalene
CID 175737781
N-[(4-dodecoxynaphthalen-1-yl)methyl]-2-(2-fluorophenyl)ethanamine
CID 67186944
2-(1,3-benzodioxol-5-yl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid
CID 126468857
2-(4-fluorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367731
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
3-[2-(2-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021953
2-(4-chlorophenyl)-N-[(2,3-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 2850110
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
oxalic acid;1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17052977
3-[(4-methoxynaphthalen-1-yl)methylamino]propanenitrile
CID 78974976
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid (CID 17367744) is 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid is COc1ccc(CNCCc2ccccc2F)c2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid?
The InChIKey is WSOSIHWFVANORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO.C2H2O4/c1-23-20-11-10-16(17-7-3-4-8-18(17)20)14-22-13-12-15-6-2-5-9-19(15)21;3-1(4)2(5)6/h2-11,22H,12-14H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid?
2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid has a molecular weight of 399.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17367744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).