2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid

C20H24ClNO6 — CID 17367883

IUPAC2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCCOc1cc(CNCCc2cccc(Cl)c2)ccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H22ClNO2.C2H2O4/c1-3-22-18-12-15(7-8-17(18)21-2)13-20-10-9-14-5-4-6-16(19)11-14;3-1(4)2(5)6/h4-8,11-12,20H,3,9-10,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDOQLYZSQGLEHOE-UHFFFAOYSA-N
MW409.87 g/mol
LogP3.24
Rot. Bonds8

About 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid

2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid (PubChem CID 17367883) has the molecular formula C20H24ClNO6 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
PubChem CID17367883
Molecular FormulaC20H24ClNO6
Molecular Weight409.87 g/mol
Exact Mass409.13
IUPAC Name2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid
SMILESCCOc1cc(CNCCc2cccc(Cl)c2)ccc1OC.O=C(O)C(=O)O
InChIInChI=1S/C18H22ClNO2.C2H2O4/c1-3-22-18-12-15(7-8-17(18)21-2)13-20-10-9-14-5-4-6-16(19)11-14;3-1(4)2(5)6/h4-8,11-12,20H,3,9-10,13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyDOQLYZSQGLEHOE-UHFFFAOYSA-N
XLogP3.24
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)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-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
2-(3-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367527
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylethanamine;oxalic acid
CID 17367645
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
3-[(3-ethoxy-4-methoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331515
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
N-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17290516
N-[(3-ethoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 4717518
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 11222686
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid (CID 17367883) is 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid is CCOc1cc(CNCCc2cccc(Cl)c2)ccc1OC.O=C(O)C(=O)O.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid?
The InChIKey is DOQLYZSQGLEHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2.C2H2O4/c1-3-22-18-12-15(7-8-17(18)21-2)13-20-10-9-14-5-4-6-16(19)11-14;3-1(4)2(5)6/h4-8,11-12,20H,3,9-10,13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid?
2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid has a molecular weight of 409.87 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine;oxalic acid is sourced from PubChem (CID 17367883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).