(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol

C23H24FNO — CID 66639453

IUPAC(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2/t22-/m1/s1
InChIKeyZEWCXVBDBSSVQX-JOCHJYFZSA-N
MW349.45 g/mol
LogP4.43
Rot. Bonds8

About (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol

(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol (PubChem CID 66639453) has the molecular formula C23H24FNO and a molecular weight of 349.45 g/mol. Its IUPAC name is (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
PubChem CID66639453
Molecular FormulaC23H24FNO
Molecular Weight349.45 g/mol
Exact Mass349.18
IUPAC Name(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol
SMILESOC[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2/t22-/m1/s1
InChIKeyZEWCXVBDBSSVQX-JOCHJYFZSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-[3-[(2S)-2-[bis[(2-phenylphenyl)methyl]amino]-3-hydroxypropyl]phenyl]propan-1-ol
CID 101260450
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
3-[benzyl-[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]propanenitrile
CID 170222607
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
(2S)-2-(dibenzylamino)-4-pyrrol-1-ylbutan-1-ol
CID 14610936
2-[(2-fluorophenyl)methyl]-3-methylbutan-1-ol
CID 66059618
N-benzyl-2-(2-fluorophenyl)-N-(2-hydroxyethyl)acetamide
CID 60654052
1-amino-3-(2-fluorophenyl)propan-2-ol
CID 64982726

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol (CID 66639453) is (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol is OC[C@@H](Cc1ccccc1F)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
The InChIKey is ZEWCXVBDBSSVQX-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24FNO/c24-23-14-8-7-13-21(23)15-22(18-26)25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-14,22,26H,15-18H2/t22-/m1/s1.
What are the key properties of (2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol?
(2R)-2-(dibenzylamino)-3-(2-fluorophenyl)propan-1-ol has a molecular weight of 349.45 g/mol, XLogP of 4.43, 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-fluorophenyl)propan-1-ol is sourced from PubChem (CID 66639453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).