N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C24H35BrCl2N2O3 — CID 17055302

About N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 17055302) has the molecular formula C24H35BrCl2N2O3 and a molecular weight of 550.37 g/mol. Its IUPAC name is N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
• PubChem CID: 17055302
• Molecular Formula: C24H35BrCl2N2O3
• Molecular Weight: 550.37 g/mol
• Exact Mass: 548.12
• IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
• SMILES: CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1.Cl.Cl
• InChI: InChI=1S/C24H33BrN2O3.2ClH/c1-3-29-23-16-21(17-26-9-4-10-27-11-13-28-14-12-27)15-22(25)24(23)30-18-20-7-5-19(2)6-8-20;;/h5-8,15-16,26H,3-4,9-14,17-18H2,1-2H3;2*1H
• InChIKey: UGWAFPXWVKSRNV-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 42.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.37
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?

The IUPAC name of N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 17055302) is N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

What is the SMILES notation for N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?

The canonical SMILES for N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is CCOc1cc(CNCCCN2CCOCC2)cc(Br)c1OCc1ccc(C)cc1.Cl.Cl.

What is the InChIKey of N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?

The InChIKey is UGWAFPXWVKSRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN2O3.2ClH/c1-3-29-23-16-21(17-26-9-4-10-27-11-13-28-14-12-27)15-22(25)24(23)30-18-20-7-5-19(2)6-8-20;;/h5-8,15-16,26H,3-4,9-14,17-18H2,1-2H3;2*1H.

What are the key properties of N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?

N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 550.37 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 17055302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).