N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid

C20H25NO6 — CID 2936025

IUPACN,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid
SMILESCN(C)CCOCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-19(2)12-13-20-14-15-21-18-11-7-6-10-17(18)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11H,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRFAVCBLRBSSOGJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.47
Rot. Bonds8

About N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid

N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid (PubChem CID 2936025) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid
PubChem CID2936025
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid
SMILESCN(C)CCOCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C18H23NO2.C2H2O4/c1-19(2)12-13-20-14-15-21-18-11-7-6-10-17(18)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11H,12-15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRFAVCBLRBSSOGJ-UHFFFAOYSA-N
XLogP2.47
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid?
The IUPAC name of N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid (CID 2936025) is N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid?
The canonical SMILES for N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid is CN(C)CCOCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid?
The InChIKey is RFAVCBLRBSSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.C2H2O4/c1-19(2)12-13-20-14-15-21-18-11-7-6-10-17(18)16-8-4-3-5-9-16;3-1(4)2(5)6/h3-11H,12-15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid?
N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid has a molecular weight of 375.42 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(2-phenylphenoxy)ethoxy]ethanamine;oxalic acid is sourced from PubChem (CID 2936025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).