2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol

C24H28N2O2 — CID 22986860

IUPAC2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
SMILESOC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(20-7-3-1-4-8-20)17-25-16-15-19-11-13-22(14-12-19)26-18-24(28)21-9-5-2-6-10-21/h1-14,23-28H,15-18H2
InChIKeyDPSWGDCYRVZQQH-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.70
Rot. Bonds10

About 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol

2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol (PubChem CID 22986860) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
PubChem CID22986860
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol
SMILESOC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c27-23(20-7-3-1-4-8-20)17-25-16-15-19-11-13-22(14-12-19)26-18-24(28)21-9-5-2-6-10-21/h1-14,23-28H,15-18H2
InChIKeyDPSWGDCYRVZQQH-UHFFFAOYSA-N
XLogP3.70
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.70
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 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol?
The IUPAC name of 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol (CID 22986860) is 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol.
What is the SMILES notation for 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol?
The canonical SMILES for 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol is OC(CNCCc1ccc(NCC(O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol?
The InChIKey is DPSWGDCYRVZQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(20-7-3-1-4-8-20)17-25-16-15-19-11-13-22(14-12-19)26-18-24(28)21-9-5-2-6-10-21/h1-14,23-28H,15-18H2.
What are the key properties of 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol?
2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol has a molecular weight of 376.50 g/mol, XLogP of 3.70, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]ethylamino]-1-phenylethanol is sourced from PubChem (CID 22986860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).