N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

C34H39NO2 — CID 176828269

About N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine

N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 176828269) has the molecular formula C34H39NO2 and a molecular weight of 493.69 g/mol. Its IUPAC name is N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

• Compound Name: N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
• PubChem CID: 176828269
• Molecular Formula: C34H39NO2
• Molecular Weight: 493.69 g/mol
• Exact Mass: 493.30
• IUPAC Name: N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine
• SMILES: COc1ccccc1C(CCN(Cc1ccccc1)[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1
• InChI: InChI=1S/C34H39NO2/c1-26(2)37-31-21-19-30(20-22-31)32(33-17-11-12-18-34(33)36-4)23-24-35(25-28-13-7-5-8-14-28)27(3)29-15-9-6-10-16-29/h5-22,26-27,32H,23-25H2,1-4H3/t27-,32?/m1/s1
• InChIKey: QUJQIWMMNXLIHA-XIDOUCRZSA-N
• XLogP: 8.27
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.69
LogP ≤ 5	8.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?

The IUPAC name of N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine (CID 176828269) is N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine.

What is the SMILES notation for N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?

The canonical SMILES for N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is COc1ccccc1C(CCN(Cc1ccccc1)[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1.

What is the InChIKey of N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?

The InChIKey is QUJQIWMMNXLIHA-XIDOUCRZSA-N. The full InChI is InChI=1S/C34H39NO2/c1-26(2)37-31-21-19-30(20-22-31)32(33-17-11-12-18-34(33)36-4)23-24-35(25-28-13-7-5-8-14-28)27(3)29-15-9-6-10-16-29/h5-22,26-27,32H,23-25H2,1-4H3/t27-,32?/m1/s1.

What are the key properties of N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine?

N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 493.69 g/mol, XLogP of 8.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-(2-methoxyphenyl)-N-[(1R)-1-phenylethyl]-3-(4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 176828269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).