(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol

C24H25F2NO — CID 135070050

IUPAC(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol
SMILESO[C@H](C(F)F)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25F2NO/c25-24(26)23(28)22(16-19-10-4-1-5-11-19)27(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-24,28H,16-18H2/t22-,23-/m0/s1
InChIKeyDRNZINJJERGIKZ-GOTSBHOMSA-N
MW381.47 g/mol
LogP4.93
Rot. Bonds9

About (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol

(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol (PubChem CID 135070050) has the molecular formula C24H25F2NO and a molecular weight of 381.47 g/mol. Its IUPAC name is (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol
PubChem CID135070050
Molecular FormulaC24H25F2NO
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol
SMILESO[C@H](C(F)F)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25F2NO/c25-24(26)23(28)22(16-19-10-4-1-5-11-19)27(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-24,28H,16-18H2/t22-,23-/m0/s1
InChIKeyDRNZINJJERGIKZ-GOTSBHOMSA-N
XLogP4.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
alpha-[[Methyl-[[2'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]methyl]amino]methyl]-benzenemethanol
CID 10249485
(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
trans-(1R,2R)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)cyclohexan-1-ol
CID 1215901
2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexanol
CID 15925754
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
(2R)-2-[(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598248
(2R)-2-[(2S,5S)-2,5-bis(2-phenylethyl)pyrrolidin-1-yl]-2-phenylethanol
CID 44598250
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol?
The IUPAC name of (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol (CID 135070050) is (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol is O[C@H](C(F)F)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol?
The InChIKey is DRNZINJJERGIKZ-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H25F2NO/c25-24(26)23(28)22(16-19-10-4-1-5-11-19)27(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22-24,28H,16-18H2/t22-,23-/m0/s1.
What are the key properties of (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol?
(2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol has a molecular weight of 381.47 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(dibenzylamino)-1,1-difluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 135070050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).