dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium

C21H27FNO+ — CID 71500611

IUPACdibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium
SMILESC[N+](Cc1ccccc1)(Cc1ccccc1)[C@@H]1CCC[C@@H](F)[C@@H]1O
InChIInChI=1S/C21H27FNO/c1-23(15-17-9-4-2-5-10-17,16-18-11-6-3-7-12-18)20-14-8-13-19(22)21(20)24/h2-7,9-12,19-21,24H,8,13-16H2,1H3/q+1/t19-,20-,21+/m1/s1
InChIKeyLUWMXDCSFMWDQQ-NJYVYQBISA-N
MW328.45 g/mol
LogP4.08
Rot. Bonds5

About dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium

dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium (PubChem CID 71500611) has the molecular formula C21H27FNO+ and a molecular weight of 328.45 g/mol. Its IUPAC name is dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium.

Molecular Properties

Compound Namedibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium
PubChem CID71500611
Molecular FormulaC21H27FNO+
Molecular Weight328.45 g/mol
Exact Mass328.21
IUPAC Namedibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium
SMILESC[N+](Cc1ccccc1)(Cc1ccccc1)[C@@H]1CCC[C@@H](F)[C@@H]1O
InChIInChI=1S/C21H27FNO/c1-23(15-17-9-4-2-5-10-17,16-18-11-6-3-7-12-18)20-14-8-13-19(22)21(20)24/h2-7,9-12,19-21,24H,8,13-16H2,1H3/q+1/t19-,20-,21+/m1/s1
InChIKeyLUWMXDCSFMWDQQ-NJYVYQBISA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-Dibenzylethanolamine
CID 22657
Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-
CID 48897
1-(Diphenylmethyl)azetidin-3-ol
CID 330448
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(1R,2R)-2-(benzylamino)cyclohexanol
CID 2724650
(S)-(+)-2-(Dibenzylamino)-3-phenyl-1-propanol
CID 7019180
2-[Benzyl-[(3,4-difluorophenyl)methyl]amino]ethanol
CID 757598
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
2-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-cyclohexanol
CID 15925754
2-(4-Benzyl-piperidin-1-yl)-cyclohexanol
CID 15925766

Frequently Asked Questions

What is the IUPAC name of dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium?
The IUPAC name of dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium (CID 71500611) is dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium.
What is the SMILES notation for dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium?
The canonical SMILES for dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium is C[N+](Cc1ccccc1)(Cc1ccccc1)[C@@H]1CCC[C@@H](F)[C@@H]1O.
What is the InChIKey of dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium?
The InChIKey is LUWMXDCSFMWDQQ-NJYVYQBISA-N. The full InChI is InChI=1S/C21H27FNO/c1-23(15-17-9-4-2-5-10-17,16-18-11-6-3-7-12-18)20-14-8-13-19(22)21(20)24/h2-7,9-12,19-21,24H,8,13-16H2,1H3/q+1/t19-,20-,21+/m1/s1.
What are the key properties of dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium?
dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium has a molecular weight of 328.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl-[(1R,2R,3R)-3-fluoro-2-hydroxycyclohexyl]-methylazanium is sourced from PubChem (CID 71500611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).