2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid

C19H21Cl2NO5 — CID 3079814

IUPAC2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCOC(c1cccc(Cl)c1)c1ccccc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C17H19Cl2NO.C2H2O4/c1-20(2)10-11-21-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;3-1(4)2(5)6/h3-9,12,17H,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyORLRUAPABXOIPM-UHFFFAOYSA-N
MW414.29 g/mol
LogP3.82
Rot. Bonds6

About 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid

2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid (PubChem CID 3079814) has the molecular formula C19H21Cl2NO5 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
PubChem CID3079814
Molecular FormulaC19H21Cl2NO5
Molecular Weight414.29 g/mol
Exact Mass413.08
IUPAC Name2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid
SMILESCN(C)CCOC(c1cccc(Cl)c1)c1ccccc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C17H19Cl2NO.C2H2O4/c1-20(2)10-11-21-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;3-1(4)2(5)6/h3-9,12,17H,10-11H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyORLRUAPABXOIPM-UHFFFAOYSA-N
XLogP3.82
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
2-[(S)-(3,4-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 1224093
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
2-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]acetic acid
CID 54895368
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
2-[3-chloro-N-[1-(2-chlorophenyl)ethyl]anilino]acetic acid
CID 65057794
3-[(3-chlorophenyl)-[2-(methoxycarbonylamino)ethoxy]methyl]-4-methoxybenzoic acid
CID 56833240
methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
CID 57295323
2-[bis(2-chlorophenyl)methoxy]acetic acid
CID 57126454
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
ethyl 2-[2-(dimethylamino)ethoxy]-2-phenylacetate
CID 171986152

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The IUPAC name of 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid (CID 3079814) is 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The canonical SMILES for 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid is CN(C)CCOC(c1cccc(Cl)c1)c1ccccc1Cl.O=C(O)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
The InChIKey is ORLRUAPABXOIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO.C2H2O4/c1-20(2)10-11-21-17(13-6-5-7-14(18)12-13)15-8-3-4-9-16(15)19;3-1(4)2(5)6/h3-9,12,17H,10-11H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid?
2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid has a molecular weight of 414.29 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-(3-chlorophenyl)methoxy]-N,N-dimethylethanamine;oxalic acid is sourced from PubChem (CID 3079814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).