(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine

C24H33NO — CID 7077870

About (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine

(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine (PubChem CID 7077870) has the molecular formula C24H33NO and a molecular weight of 351.53 g/mol. Its IUPAC name is (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine.

Molecular Properties

• Compound Name: (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine
• PubChem CID: 7077870
• Molecular Formula: C24H33NO
• Molecular Weight: 351.53 g/mol
• Exact Mass: 351.26
• IUPAC Name: (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine
• SMILES: C[C@@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1
• InChI: InChI=1S/C24H33NO/c1-19(20-10-6-4-7-11-20)25-16-14-23(21-12-8-5-9-13-21)22-15-17-26-24(2,3)18-22/h4-13,19,22-23,25H,14-18H2,1-3H3/t19-,22-,23+/m1/s1
• InChIKey: GUYRJBUAYYRZRL-PTUXOGIPSA-N
• XLogP: 5.72
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.53
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine?

The IUPAC name of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine (CID 7077870) is (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine.

What is the SMILES notation for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine?

The canonical SMILES for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine is C[C@@H](NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1.

What is the InChIKey of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine?

The InChIKey is GUYRJBUAYYRZRL-PTUXOGIPSA-N. The full InChI is InChI=1S/C24H33NO/c1-19(20-10-6-4-7-11-20)25-16-14-23(21-12-8-5-9-13-21)22-15-17-26-24(2,3)18-22/h4-13,19,22-23,25H,14-18H2,1-3H3/t19-,22-,23+/m1/s1.

What are the key properties of (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine?

(3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine has a molecular weight of 351.53 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-N-[(1R)-1-phenylethyl]propan-1-amine is sourced from PubChem (CID 7077870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).