(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine

C27H30N2 — CID 174907916

IUPAC(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26?,27-/m1/s1
InChIKeySVHVLAGNGAWUQU-SSYAZFEXSA-N
MW382.55 g/mol
LogP5.07
Rot. Bonds6

About (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine

(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 174907916) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID174907916
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26?,27-/m1/s1
InChIKeySVHVLAGNGAWUQU-SSYAZFEXSA-N
XLogP5.07
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 ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine 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

2-benzhydryl-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19811759
N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 57230995
methyl 4-[(S)-[(2R,3R)-3-(benzylamino)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethyl]benzoate
CID 67825948
N-benzyl-2-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825740
(2R,3R)-N-benzyl-2-[(R)-(2,4-difluorophenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825521
2-[[[(2S,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]amino]methyl]pyridin-3-ol
CID 67825542
(2S,3R)-2-benzhydryl-N-[(2-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrate
CID 67825610
2-benzhydryl-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 10160487
2-benzhydryl-N-[(3-methoxythiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811737
(2S,3S,4R)-2-benzhydryl-N-[(2-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.1]heptan-3-amine
CID 23376848
(3R)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 59045714
2-benzhydryl-N-(quinolin-8-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine;hydrochloride
CID 19811798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine (CID 174907916) is (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine is c1ccc(CNC2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is SVHVLAGNGAWUQU-SSYAZFEXSA-N. The full InChI is InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26?,27-/m1/s1.
What are the key properties of (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 382.55 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 174907916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).