(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine

C26H34N2 — CID 54495837

IUPAC(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C1CCCC1)[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2/c1-27(23-14-8-9-15-23)25-22-16-18-28(19-17-22)26(25)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,22-26H,8-9,14-19H2,1H3/t25-,26-/m1/s1
InChIKeyXZAJZDOKJWEYMJ-CLJLJLNGSA-N
MW374.57 g/mol
LogP5.16
Rot. Bonds5

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

(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 54495837) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID54495837
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCN(C1CCCC1)[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2/c1-27(23-14-8-9-15-23)25-22-16-18-28(19-17-22)26(25)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,22-26H,8-9,14-19H2,1H3/t25-,26-/m1/s1
InChIKeyXZAJZDOKJWEYMJ-CLJLJLNGSA-N
XLogP5.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

(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
(3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine
CID 67790073
2-benzhydryl-N-methyl-N-(2-methylphenyl)-1-azabicyclo[2.2.1]heptan-3-amine
CID 57048052
(2R,3R)-2-benzhydryl-N-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67825713
2-[bis(4-bromophenyl)methyl]-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67825466
2-benzhydryl-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 18921965
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 174907916
N-[(2S,3S)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]benzenesulfonamide
CID 10812646
2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67825350
(2R,3R)-2-benzhydryl-3-[(4-methoxyphenyl)methoxy]-1-azabicyclo[2.2.2]octane
CID 10835557

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 54495837) is (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is CN(C1CCCC1)[C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XZAJZDOKJWEYMJ-CLJLJLNGSA-N. The full InChI is InChI=1S/C26H34N2/c1-27(23-14-8-9-15-23)25-22-16-18-28(19-17-22)26(25)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-13,22-26H,8-9,14-19H2,1H3/t25-,26-/m1/s1.
What are the key properties of (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 374.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 54495837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).