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

C20H24N2 — CID 67790073

IUPAC(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2/c21-19-17-11-13-22(14-12-17)20(19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14,21H2/t19-,20?/m1/s1
InChIKeyMECDCHFRZHLREI-FIWHBWSRSA-N
MW292.43 g/mol
LogP3.24
Rot. Bonds3

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

(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67790073) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67790073
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine
SMILESN[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2/c21-19-17-11-13-22(14-12-17)20(19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14,21H2/t19-,20?/m1/s1
InChIKeyMECDCHFRZHLREI-FIWHBWSRSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-[bis(4-bromophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 14986151
2-benzhydryl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 18921965
(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 174907916
(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54495837
N-[(2S,3S)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]benzenesulfonamide
CID 10812646
2-benzhydryl-3-phenylmethoxy-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19797464
(2R,3R)-2-benzhydryl-N-(2-fluorophenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54043866
(2R,3R)-2-benzhydryl-N-methyl-N-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 54250735
2-benzhydryl-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19811759
2-[[(2S,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]iminomethyl]benzoic acid
CID 67825710
(2R,3R)-2-benzhydryl-3-[(4-methoxyphenyl)methoxy]-1-azabicyclo[2.2.2]octane
CID 10835557
(2S,3R)-2-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 99643394

Frequently Asked Questions

What is the IUPAC name of (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine (CID 67790073) is (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine is N[C@@H]1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MECDCHFRZHLREI-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H24N2/c21-19-17-11-13-22(14-12-17)20(19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14,21H2/t19-,20?/m1/s1.
What are the key properties of (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 292.43 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67790073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).