N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid

C25H27NO6 — CID 155529314

IUPACN-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2.C2H2O4/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)26-19-17-24-16-18-25-22-14-8-3-9-15-22;3-1(4)2(5)6/h1-15,23-24H,16-19H2;(H,3,4)(H,5,6)
InChIKeyABFINGAODMPZMS-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.62
Rot. Bonds10

About N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid

N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid (PubChem CID 155529314) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
PubChem CID155529314
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC NameN-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid
SMILESO=C(O)C(=O)O.c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2.C2H2O4/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)26-19-17-24-16-18-25-22-14-8-3-9-15-22;3-1(4)2(5)6/h1-15,23-24H,16-19H2;(H,3,4)(H,5,6)
InChIKeyABFINGAODMPZMS-UHFFFAOYSA-N
XLogP3.62
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.62
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 N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;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'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
2-(2-phenoxyethylamino)acetic acid
CID 13236095
1-(3-benzhydryloxypropylamino)-3-(4-methoxyphenoxy)propan-2-ol;oxalic acid
CID 110194018
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
3-(2-benzhydryloxyethylamino)-1-(3,4-dimethylphenyl)propan-1-one
CID 110177605
3-phenoxy-N-(3-phenoxypropyl)propan-1-amine;hydrochloride
CID 18793133
N-(2-phenoxyethyl)-3-propan-2-yloxypropan-1-amine
CID 60691183
N-[2-(4-chlorophenoxy)ethyl]-2-phenylethanamine;oxalic acid
CID 2936042
N-(2-fluoroethyl)-2-phenoxyethanamine
CID 80694190
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid?
The IUPAC name of N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid (CID 155529314) is N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid?
The canonical SMILES for N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid is O=C(O)C(=O)O.c1ccc(OCCNCCOC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid?
The InChIKey is ABFINGAODMPZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.C2H2O4/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21)26-19-17-24-16-18-25-22-14-8-3-9-15-22;3-1(4)2(5)6/h1-15,23-24H,16-19H2;(H,3,4)(H,5,6).
What are the key properties of N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid?
N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid has a molecular weight of 437.49 g/mol, XLogP of 3.62, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-2-phenoxyethanamine;oxalic acid is sourced from PubChem (CID 155529314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).