N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

C27H30N2 — CID 10407573

IUPACN-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)C2Cc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H30N2/c1-3-9-21(10-4-1)20-28-27-23-15-17-29(18-16-23)26(27)19-24-13-7-8-14-25(24)22-11-5-2-6-12-22/h1-14,23,26-28H,15-20H2
InChIKeySRAOFKKCPSRZKR-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.15
Rot. Bonds6

About N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 10407573) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID10407573
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC NameN-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)C2Cc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C27H30N2/c1-3-9-21(10-4-1)20-28-27-23-15-17-29(18-16-23)26(27)19-24-13-7-8-14-25(24)22-11-5-2-6-12-22/h1-14,23,26-28H,15-20H2
InChIKeySRAOFKKCPSRZKR-UHFFFAOYSA-N
XLogP5.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-benzyl-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 155569480
N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 67924201
(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 174907916
2-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811853
N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 57230995
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67591095
2-(2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 154227419
2-benzhydryl-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19811759
(2R,3S)-2-benzyl-1-azabicyclo[2.2.2]octan-3-ol
CID 11042184
(2S,3R)-2-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 99643394
(2R,3R)-N-benzyl-2-[(R)-(2,4-difluorophenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825521

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 10407573) is N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is c1ccc(CNC2C3CCN(CC3)C2Cc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is SRAOFKKCPSRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-3-9-21(10-4-1)20-28-27-23-15-17-29(18-16-23)26(27)19-24-13-7-8-14-25(24)22-11-5-2-6-12-22/h1-14,23,26-28H,15-20H2.
What are the key properties of N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 382.55 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 10407573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).