3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid

C23H25NO5 — CID 174252280

IUPAC3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid
SMILESCC(COc1cccc2ccccc12)C(C)(N)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H23NO.C2H2O4/c1-16(21(2,22)18-11-4-3-5-12-18)15-23-20-14-8-10-17-9-6-7-13-19(17)20;3-1(4)2(5)6/h3-14,16H,15,22H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRLSULTKAPCSSPP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.88
Rot. Bonds5

About 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid

3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid (PubChem CID 174252280) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid.

Molecular Properties

Compound Name3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid
PubChem CID174252280
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid
SMILESCC(COc1cccc2ccccc12)C(C)(N)c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C21H23NO.C2H2O4/c1-16(21(2,22)18-11-4-3-5-12-18)15-23-20-14-8-10-17-9-6-7-13-19(17)20;3-1(4)2(5)6/h3-14,16H,15,22H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyRLSULTKAPCSSPP-UHFFFAOYSA-N
XLogP3.88
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-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

Related Compounds

3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
naphthalen-1-yl 2-amino-2-methylpropanoate
CID 70178534
[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]oxy-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 10992414
[(2R)-1-amino-3-naphthalen-1-yloxypropan-2-yl] acetate
CID 102063111
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propane-2-thiol
CID 142421207
2-methyl-2-(methylamino)-4-naphthalen-1-yloxypentanamide
CID 64706246
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
(1-hydroxy-2-naphthalen-1-yloxyethyl)-propan-2-ylazanium chloride
CID 18529256
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid?
The IUPAC name of 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid (CID 174252280) is 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid.
What is the SMILES notation for 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid?
The canonical SMILES for 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid is CC(COc1cccc2ccccc12)C(C)(N)c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid?
The InChIKey is RLSULTKAPCSSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.C2H2O4/c1-16(21(2,22)18-11-4-3-5-12-18)15-23-20-14-8-10-17-9-6-7-13-19(17)20;3-1(4)2(5)6/h3-14,16H,15,22H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid?
3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid has a molecular weight of 395.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-naphthalen-1-yloxy-2-phenylbutan-2-amine;oxalic acid is sourced from PubChem (CID 174252280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).