(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol

C30H32N2O2 — CID 90680251

IUPAC(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,27-34H,21-22H2/t27-,28-,29-,30-/m0/s1
InChIKeyZZNZLXAFYMPHAD-KRCBVYEFSA-N
MW452.60 g/mol
LogP5.12
Rot. Bonds11

About (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol

(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol (PubChem CID 90680251) has the molecular formula C30H32N2O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol.

Molecular Properties

Compound Name(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol
PubChem CID90680251
Molecular FormulaC30H32N2O2
Molecular Weight452.60 g/mol
Exact Mass452.25
IUPAC Name(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol
SMILESO[C@@H](c1ccccc1)[C@@H](NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,27-34H,21-22H2/t27-,28-,29-,30-/m0/s1
InChIKeyZZNZLXAFYMPHAD-KRCBVYEFSA-N
XLogP5.12
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol?
The IUPAC name of (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol (CID 90680251) is (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol.
What is the SMILES notation for (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol?
The canonical SMILES for (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol is O[C@@H](c1ccccc1)[C@@H](NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol?
The InChIKey is ZZNZLXAFYMPHAD-KRCBVYEFSA-N. The full InChI is InChI=1S/C30H32N2O2/c33-29(25-17-9-3-10-18-25)27(23-13-5-1-6-14-23)31-21-22-32-28(24-15-7-2-8-16-24)30(34)26-19-11-4-12-20-26/h1-20,27-34H,21-22H2/t27-,28-,29-,30-/m0/s1.
What are the key properties of (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol?
(1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol has a molecular weight of 452.60 g/mol, XLogP of 5.12, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-[2-[[(1S,2S)-2-hydroxy-1,2-diphenylethyl]amino]ethylamino]-1,2-diphenylethanol is sourced from PubChem (CID 90680251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).