(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine

C48H54N2 — CID 139197887

About (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine

(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine (PubChem CID 139197887) has the molecular formula C48H54N2 and a molecular weight of 658.97 g/mol. Its IUPAC name is (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine.

Molecular Properties

• Compound Name: (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
• PubChem CID: 139197887
• Molecular Formula: C48H54N2
• Molecular Weight: 658.97 g/mol
• Exact Mass: 658.43
• IUPAC Name: (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
• SMILES: C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1
• InChI: InChI=1S/2C24H27N/c2*1-19(22-13-7-4-8-14-22)25(20(2)23-15-9-5-10-16-23)21(3)24-17-11-6-12-18-24/h2*4-21H,1-3H3/t2*19-,20-,21-/m10/s1
• InChIKey: UMSLVWGFIJZYCE-BAGSRVKRSA-N
• XLogP: 13.14
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.97
LogP ≤ 5	13.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine?

The IUPAC name of (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine (CID 139197887) is (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine.

What is the SMILES notation for (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine?

The canonical SMILES for (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine is C[C@@H](c1ccccc1)N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1.C[C@H](c1ccccc1)N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1.

What is the InChIKey of (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine?

The InChIKey is UMSLVWGFIJZYCE-BAGSRVKRSA-N. The full InChI is InChI=1S/2C24H27N/c2*1-19(22-13-7-4-8-14-22)25(20(2)23-15-9-5-10-16-23)21(3)24-17-11-6-12-18-24/h2*4-21H,1-3H3/t2*19-,20-,21-/m10/s1.

What are the key properties of (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine?

(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine has a molecular weight of 658.97 g/mol, XLogP of 13.14, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine is sourced from PubChem (CID 139197887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).