2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine

C34H37NO3 — CID 20803914

About 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine

2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine (PubChem CID 20803914) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine.

Molecular Properties

• Compound Name: 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine
• PubChem CID: 20803914
• Molecular Formula: C34H37NO3
• Molecular Weight: 507.67 g/mol
• Exact Mass: 507.28
• IUPAC Name: 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine
• SMILES: Cc1ccc(CNc2ccc3c(c2)C(OCc2ccccc2)C(OCc2ccccc2C)C(C)(C)O3)cc1
• InChI: InChI=1S/C34H37NO3/c1-24-14-16-26(17-15-24)21-35-29-18-19-31-30(20-29)32(36-22-27-11-6-5-7-12-27)33(34(3,4)38-31)37-23-28-13-9-8-10-25(28)2/h5-20,32-33,35H,21-23H2,1-4H3
• InChIKey: XSXOFAJSQSKNEQ-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.67
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine?

The IUPAC name of 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine (CID 20803914) is 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine.

What is the SMILES notation for 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine?

The canonical SMILES for 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine is Cc1ccc(CNc2ccc3c(c2)C(OCc2ccccc2)C(OCc2ccccc2C)C(C)(C)O3)cc1.

What is the InChIKey of 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine?

The InChIKey is XSXOFAJSQSKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3/c1-24-14-16-26(17-15-24)21-35-29-18-19-31-30(20-29)32(36-22-27-11-6-5-7-12-27)33(34(3,4)38-31)37-23-28-13-9-8-10-25(28)2/h5-20,32-33,35H,21-23H2,1-4H3.

What are the key properties of 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine?

2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine has a molecular weight of 507.67 g/mol, XLogP of 7.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-3-[(2-methylphenyl)methoxy]-N-[(4-methylphenyl)methyl]-4-phenylmethoxy-3,4-dihydrochromen-6-amine is sourced from PubChem (CID 20803914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).