(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol

C19H24N2O — CID 90680250

IUPAC(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol
SMILESCC(C)=NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)20-13-14-21-18(16-9-5-3-6-10-16)19(22)17-11-7-4-8-12-17/h3-12,18-19,21-22H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyFNWMEASGITXBEN-OALUTQOASA-N
MW296.41 g/mol
LogP3.53
Rot. Bonds7

About (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol

(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol (PubChem CID 90680250) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol.

Molecular Properties

Compound Name(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol
PubChem CID90680250
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol
SMILESCC(C)=NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H24N2O/c1-15(2)20-13-14-21-18(16-9-5-3-6-10-16)19(22)17-11-7-4-8-12-17/h3-12,18-19,21-22H,13-14H2,1-2H3/t18-,19-/m0/s1
InChIKeyFNWMEASGITXBEN-OALUTQOASA-N
XLogP3.53
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol?
The IUPAC name of (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol (CID 90680250) is (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol.
What is the SMILES notation for (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol?
The canonical SMILES for (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol is CC(C)=NCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol?
The InChIKey is FNWMEASGITXBEN-OALUTQOASA-N. The full InChI is InChI=1S/C19H24N2O/c1-15(2)20-13-14-21-18(16-9-5-3-6-10-16)19(22)17-11-7-4-8-12-17/h3-12,18-19,21-22H,13-14H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol?
(1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol has a molecular weight of 296.41 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-diphenyl-2-[2-(propan-2-ylideneamino)ethylamino]ethanol is sourced from PubChem (CID 90680250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).