N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid

C26H29NO6 — CID 3061510

IUPACN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid
SMILESCN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C24H27NO2.C2H2O4/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20;3-1(4)2(5)6/h3-16,22H,17-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLWRKINQQWULYIW-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.49
Rot. Bonds9

About N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid

N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid (PubChem CID 3061510) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid
PubChem CID3061510
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC NameN,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid
SMILESCN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C24H27NO2.C2H2O4/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20;3-1(4)2(5)6/h3-16,22H,17-19H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyLWRKINQQWULYIW-UHFFFAOYSA-N
XLogP4.49
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid?
The IUPAC name of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid (CID 3061510) is N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid is CN(C)CCC(Oc1ccccc1OCc1ccccc1)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid?
The InChIKey is LWRKINQQWULYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2.C2H2O4/c1-25(2)18-17-22(21-13-7-4-8-14-21)27-24-16-10-9-15-23(24)26-19-20-11-5-3-6-12-20;3-1(4)2(5)6/h3-16,22H,17-19H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid?
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid has a molecular weight of 451.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine;oxalic acid is sourced from PubChem (CID 3061510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).