(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol

C23H23F2NO — CID 66639249

IUPAC(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1cc(F)ccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23F2NO/c24-21-11-12-23(25)20(13-21)14-22(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,22,27H,14-17H2/t22-/m1/s1
InChIKeyQVJJRCALQAHYLI-JOCHJYFZSA-N
MW367.44 g/mol
LogP4.57
Rot. Bonds8

About (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol

(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol (PubChem CID 66639249) has the molecular formula C23H23F2NO and a molecular weight of 367.44 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol
PubChem CID66639249
Molecular FormulaC23H23F2NO
Molecular Weight367.44 g/mol
Exact Mass367.17
IUPAC Name(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1cc(F)ccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23F2NO/c24-21-11-12-23(25)20(13-21)14-22(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,22,27H,14-17H2/t22-/m1/s1
InChIKeyQVJJRCALQAHYLI-JOCHJYFZSA-N
XLogP4.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
2-[Benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
CID 757598
2-[Benzyl-[[4-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 782694
2-[Benzyl(2-fluorobenzyl)amino]ethanol
CID 783283
2-[(3-Fluorophenyl)methyl-(phenylmethyl)amino]ethanol
CID 783344
trans-(1R,2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
CID 1215901
(R)-2-((R)-1-benzylpiperidin-2-yl)-2-phenylethanol
CID 10685307
2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexanol
CID 15925754
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
{1-(3,5-Difluorobenzyl)-4-[3-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol (CID 66639249) is (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol is OC[C@@H](Cc1cc(F)ccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is QVJJRCALQAHYLI-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23F2NO/c24-21-11-12-23(25)20(13-21)14-22(17-27)26(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,22,27H,14-17H2/t22-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol?
(2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 367.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dibenzylamino)-3-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 66639249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).