N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine

C29H33NO3 — CID 164724177

About N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine

N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 164724177) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine
• PubChem CID: 164724177
• Molecular Formula: C29H33NO3
• Molecular Weight: 443.59 g/mol
• Exact Mass: 443.25
• IUPAC Name: N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine
• SMILES: COC[C@H](Oc1ccc2c(c1C(C)C)/C(=N/c1ccc(OC)cc1)CCC2)c1ccccc1
• InChI: InChI=1S/C29H33NO3/c1-20(2)28-26(33-27(19-31-3)21-9-6-5-7-10-21)18-13-22-11-8-12-25(29(22)28)30-23-14-16-24(32-4)17-15-23/h5-7,9-10,13-18,20,27H,8,11-12,19H2,1-4H3/b30-25+/t27-/m0/s1
• InChIKey: MDBXZXFLSMIWRW-LLDNVPTHSA-N
• XLogP: 7.04
• TPSA: 40.05 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.59
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?

The IUPAC name of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine (CID 164724177) is N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine.

What is the SMILES notation for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?

The canonical SMILES for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine is COC[C@H](Oc1ccc2c(c1C(C)C)/C(=N/c1ccc(OC)cc1)CCC2)c1ccccc1.

What is the InChIKey of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?

The InChIKey is MDBXZXFLSMIWRW-LLDNVPTHSA-N. The full InChI is InChI=1S/C29H33NO3/c1-20(2)28-26(33-27(19-31-3)21-9-6-5-7-10-21)18-13-22-11-8-12-25(29(22)28)30-23-14-16-24(32-4)17-15-23/h5-7,9-10,13-18,20,27H,8,11-12,19H2,1-4H3/b30-25+/t27-/m0/s1.

What are the key properties of N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine?

N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 443.59 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-7-[(1R)-2-methoxy-1-phenylethoxy]-8-propan-2-yl-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 164724177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).