N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid

C18H20ClNO5 — CID 2934821

IUPACN-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid
SMILESCN(CCOc1ccccc1Cl)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18ClNO.C2H2O4/c1-18(13-14-7-3-2-4-8-14)11-12-19-16-10-6-5-9-15(16)17;3-1(4)2(5)6/h2-10H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeySDFBBLLKWDFUJR-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.01
Rot. Bonds6

About N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid

N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid (PubChem CID 2934821) has the molecular formula C18H20ClNO5 and a molecular weight of 365.81 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid
PubChem CID2934821
Molecular FormulaC18H20ClNO5
Molecular Weight365.81 g/mol
Exact Mass365.10
IUPAC NameN-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid
SMILESCN(CCOc1ccccc1Cl)Cc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C16H18ClNO.C2H2O4/c1-18(13-14-7-3-2-4-8-14)11-12-19-16-10-6-5-9-15(16)17;3-1(4)2(5)6/h2-10H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeySDFBBLLKWDFUJR-UHFFFAOYSA-N
XLogP3.01
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;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

N-benzyl-2-(2-chlorophenoxy)acetamide
CID 707236
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
1-[2-(2-Chloro-6-methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847238
N-benzyl-2-(4-chloro-2,6-dimethylphenoxy)ethanamine oxalate
CID 2934159
N-benzyl-2-(4-fluorophenoxy)-N-methylethanamine oxalate
CID 2934712
N-[2-(5-chloro-2-phenylmethoxyphenyl)ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986840
4-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
CID 18986847
N-[2-[5-chloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986854
N-[2-[3,5-dichloro-2-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986855
N-[2-[5-chloro-2-(3-phenylpropoxy)phenyl]ethyl]-N-propylpropan-1-amine;oxalic acid
CID 18986865
N,N-di-n-propyl-4-[5-chloro-2-(2-phenylethoxy)phenyl]butylamine oxalate
CID 18986873
2-(4-(2-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)ethoxy)phenoxy)-2-methylpropanoic acid
CID 44579552

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid?
The IUPAC name of N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid (CID 2934821) is N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid.
What is the SMILES notation for N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid?
The canonical SMILES for N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid is CN(CCOc1ccccc1Cl)Cc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid?
The InChIKey is SDFBBLLKWDFUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.C2H2O4/c1-18(13-14-7-3-2-4-8-14)11-12-19-16-10-6-5-9-15(16)17;3-1(4)2(5)6/h2-10H,11-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid?
N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid has a molecular weight of 365.81 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenoxy)-N-methylethanamine;oxalic acid is sourced from PubChem (CID 2934821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).