3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol

C21H26F2N2O — CID 163295936

IUPAC3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CN1CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H26F2N2O/c22-21(23,17-26)16-24-12-11-20(15-24)25(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20,26H,11-17H2
InChIKeyWEJROCHOCPFCDM-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.39
Rot. Bonds8

About 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol

3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol (PubChem CID 163295936) has the molecular formula C21H26F2N2O and a molecular weight of 360.45 g/mol. Its IUPAC name is 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol
PubChem CID163295936
Molecular FormulaC21H26F2N2O
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CN1CCC(N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C21H26F2N2O/c22-21(23,17-26)16-24-12-11-20(15-24)25(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20,26H,11-17H2
InChIKeyWEJROCHOCPFCDM-UHFFFAOYSA-N
XLogP3.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-aminoethyl)-N-benzyl-N-ethylpyrrolidin-3-amine
CID 66567005
2,2-difluoro-4-phenylbutan-1-ol;4-[(3R)-1-(2,2-difluoro-4-phenylbutyl)pyrrolidin-3-yl]sulfanylphenol
CID 158858050
(1S,6S,8aR)-6-(dibenzylamino)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 10019927
N,N-dibenzylcyclobutanamine
CID 70822586
(R)-cyclopropyl-[4-(dibenzylamino)cyclohexyl]methanol
CID 59401599
N-benzyl-N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 1329756
(1S)-1-[4-(dibenzylamino)cyclohexyl]ethanol
CID 155786495
2-[(3S)-3-[benzyl(ethyl)amino]piperidin-1-yl]acetic acid
CID 66567272
2-[[4-(dibenzylamino)cyclohexyl]amino]-3,3,3-trifluoropropan-1-ol
CID 139369069
[3-[benzyl(ethyl)amino]pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174881651
[(3R)-3-(dibenzylamino)cyclopentyl]methanol
CID 141255961
(3R)-1-benzyl-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335856

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol (CID 163295936) is 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol is OCC(F)(F)CN1CCC(N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol?
The InChIKey is WEJROCHOCPFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O/c22-21(23,17-26)16-24-12-11-20(15-24)25(13-18-7-3-1-4-8-18)14-19-9-5-2-6-10-19/h1-10,20,26H,11-17H2.
What are the key properties of 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol?
3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol has a molecular weight of 360.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dibenzylamino)pyrrolidin-1-yl]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 163295936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).