N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine

C20H23ClN2 — CID 67591095

IUPACN-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1ccccc1CNC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C20H23ClN2/c21-18-9-5-4-8-17(18)14-22-19-15-10-12-23(13-11-15)20(19)16-6-2-1-3-7-16/h1-9,15,19-20,22H,10-14H2
InChIKeyBLOQTVCKPVKLPX-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.27
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine

N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67591095) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67591095
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC NameN-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESClc1ccccc1CNC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C20H23ClN2/c21-18-9-5-4-8-17(18)14-22-19-15-10-12-23(13-11-15)20(19)16-6-2-1-3-7-16/h1-9,15,19-20,22H,10-14H2
InChIKeyBLOQTVCKPVKLPX-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19383138
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57312448
N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67924228
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
(2R,3R)-2-benzyl-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 155569480
(2-phenyl-1-azabicyclo[2.2.2]octan-3-yl)methanol
CID 57351473
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
N-benzyl-2-[(2-phenylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 10407573
N-[(2-chlorophenyl)methyl]-3-cyclopropylcyclohexan-1-amine
CID 64595616
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955
1-[(2-chlorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858419
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine (CID 67591095) is N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine is Clc1ccccc1CNC1C2CCN(CC2)C1c1ccccc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is BLOQTVCKPVKLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c21-18-9-5-4-8-17(18)14-22-19-15-10-12-23(13-11-15)20(19)16-6-2-1-3-7-16/h1-9,15,19-20,22H,10-14H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 326.87 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67591095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).