N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine

C23H28F2N2 — CID 11111451

IUPACN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine
SMILESCN1[C@@H]2CC[C@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3/t16?,21-,22+
InChIKeyIPMUIEOKKFRJCK-WKRVNPTQSA-N
MW370.49 g/mol
LogP4.91
Rot. Bonds6

About N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine

N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine (PubChem CID 11111451) has the molecular formula C23H28F2N2 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine.

Molecular Properties

Compound NameN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine
PubChem CID11111451
Molecular FormulaC23H28F2N2
Molecular Weight370.49 g/mol
Exact Mass370.22
IUPAC NameN-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine
SMILESCN1[C@@H]2CC[C@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3/t16?,21-,22+
InChIKeyIPMUIEOKKFRJCK-WKRVNPTQSA-N
XLogP4.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
Benzhydrylpiperazine
CID 70048
1-(1,2-Diphenylethyl)piperazine
CID 12263801
1-(1-Phenyl-2-o-tolylethyl)piperazine
CID 44414708
1-(2-(2-Ethylphenyl)-1-phenylethyl)piperazine
CID 44414709
1-(1,3-Diphenylpropyl)piperazine
CID 44414840
4-Benzyl-1-(3,4-difluorobenzyl)piperidine
CID 1377232
1-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)piperazine
CID 2735936
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
1-(2-phenylethyl)-N-[3-(trifluoromethyl)benzyl]-4-piperidinamine
CID 26458299
(1S,6R)-3-(1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895872
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine?
The IUPAC name of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine (CID 11111451) is N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine.
What is the SMILES notation for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine?
The canonical SMILES for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine is CN1[C@@H]2CC[C@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine?
The InChIKey is IPMUIEOKKFRJCK-WKRVNPTQSA-N. The full InChI is InChI=1S/C23H28F2N2/c1-27-21-10-11-22(27)15-16(14-21)12-13-26-23(17-2-6-19(24)7-3-17)18-4-8-20(25)9-5-18/h2-9,16,21-23,26H,10-15H2,1H3/t16?,21-,22+.
What are the key properties of N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine?
N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine has a molecular weight of 370.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-fluorophenyl)methyl]-2-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]ethanamine is sourced from PubChem (CID 11111451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).