N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

C22H27ClF2N2 — CID 120836447

IUPACN-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C22H26F2N2.ClH/c1-26(21-12-19-10-11-20(13-21)25-19)14-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16;/h2-9,19-22,25H,10-14H2,1H3;1H
InChIKeyNFQIMHYEFXAPSH-UHFFFAOYSA-N
MW392.92 g/mol
LogP4.73
Rot. Bonds5

About N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride

N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (PubChem CID 120836447) has the molecular formula C22H27ClF2N2 and a molecular weight of 392.92 g/mol. Its IUPAC name is N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
PubChem CID120836447
Molecular FormulaC22H27ClF2N2
Molecular Weight392.92 g/mol
Exact Mass392.18
IUPAC NameN-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
SMILESCN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C22H26F2N2.ClH/c1-26(21-12-19-10-11-20(13-21)25-19)14-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16;/h2-9,19-22,25H,10-14H2,1H3;1H
InChIKeyNFQIMHYEFXAPSH-UHFFFAOYSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.92
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
1-N-(8-azabicyclo[3.2.1]octan-3-yl)-1-N-methylpropane-1,2-diamine
CID 130709624
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
N-methyl-N-(4-methylpentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 83158606
1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-3-methoxypropan-2-ol
CID 63928214
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
CID 99850402
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230844
N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231048
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide;hydrochloride
CID 119737221

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The IUPAC name of N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride (CID 120836447) is N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride.
What is the SMILES notation for N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The canonical SMILES for N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is CN(CC(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
The InChIKey is NFQIMHYEFXAPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2.ClH/c1-26(21-12-19-10-11-20(13-21)25-19)14-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16;/h2-9,19-22,25H,10-14H2,1H3;1H.
What are the key properties of N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride?
N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride has a molecular weight of 392.92 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride is sourced from PubChem (CID 120836447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).