N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine

C22H24F3NO2 — CID 139699820

IUPACN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C22H24F3NO2/c1-27-19-10-9-18(28-22(23,24)25)12-17(19)13-26-21-16-8-7-15(11-16)20(21)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,20-21,26H,7-8,11,13H2,1H3
InChIKeyFCLIRXOCPHBADJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.27
Rot. Bonds6

About N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine

N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine (PubChem CID 139699820) has the molecular formula C22H24F3NO2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
PubChem CID139699820
Molecular FormulaC22H24F3NO2
Molecular Weight391.43 g/mol
Exact Mass391.18
IUPAC NameN-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine
SMILESCOc1ccc(OC(F)(F)F)cc1CNC1C2CCC(C2)C1c1ccccc1
InChIInChI=1S/C22H24F3NO2/c1-27-19-10-9-18(28-22(23,24)25)12-17(19)13-26-21-16-8-7-15(11-16)20(21)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,20-21,26H,7-8,11,13H2,1H3
InChIKeyFCLIRXOCPHBADJ-UHFFFAOYSA-N
XLogP5.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine with MolForge

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Related Compounds

N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenyl-2-azabicyclo[3.2.1]octan-4-amine
CID 18982919
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-8-methyl-3-phenyl-2-azabicyclo[3.3.1]nonan-4-amine
CID 18982909
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445
2-[5-benzhydryl-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]pyrrolidin-3-yl]ethanol
CID 19974855
benzene;(3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 142835645
(5R,6S)-5-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-6-phenylpiperidine-2,4-dione
CID 154572821
4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-2-methyl-5-phenylpyrrolidine-3-carboxylic acid
CID 70301789
methyl (2R,3R,4S,5S)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-2-methyl-5-phenylpyrrolidine-3-carboxylate
CID 15454897
3-N-[[5-(fluoromethoxy)-2-methoxyphenyl]methyl]bicyclo[2.2.1]heptane-2,3-diamine
CID 142632744
(3S,4R)-4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidine-1-carboxamide;hydrochloride
CID 69056577
4-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-3-phenylpiperidine-1-carboxamide;hydrochloride
CID 69056582

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine (CID 139699820) is N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine is COc1ccc(OC(F)(F)F)cc1CNC1C2CCC(C2)C1c1ccccc1.
What is the InChIKey of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is FCLIRXOCPHBADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO2/c1-27-19-10-9-18(28-22(23,24)25)12-17(19)13-26-21-16-8-7-15(11-16)20(21)14-5-3-2-4-6-14/h2-6,9-10,12,15-16,20-21,26H,7-8,11,13H2,1H3.
What are the key properties of N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine?
N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 391.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-3-phenylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 139699820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).