2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol

C28H27NO2 — CID 6611418

IUPAC2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol
SMILESOc1ccccc1CNC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2/c30-26-19-11-10-14-23(26)21-29-27(20-22-12-4-1-5-13-22)28(31,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,27,29-31H,20-21H2
InChIKeyUUYMUWQTGVZMCY-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.03
Rot. Bonds8

About 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol

2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol (PubChem CID 6611418) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol
PubChem CID6611418
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol
SMILESOc1ccccc1CNC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27NO2/c30-26-19-11-10-14-23(26)21-29-27(20-22-12-4-1-5-13-22)28(31,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,27,29-31H,20-21H2
InChIKeyUUYMUWQTGVZMCY-UHFFFAOYSA-N
XLogP5.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol?
The IUPAC name of 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol (CID 6611418) is 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol?
The canonical SMILES for 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol is Oc1ccccc1CNC(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol?
The InChIKey is UUYMUWQTGVZMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c30-26-19-11-10-14-23(26)21-29-27(20-22-12-4-1-5-13-22)28(31,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19,27,29-31H,20-21H2.
What are the key properties of 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol?
2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol has a molecular weight of 409.53 g/mol, XLogP of 5.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-hydroxy-1,1,3-triphenylpropan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 6611418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).