2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine

C30H36N2O — CID 67825350

IUPAC2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCC1CN2CCC1C(N(C)c1ccccc1OC)C2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O/c1-4-22-21-32-20-19-25(22)29(31(2)26-17-11-12-18-27(26)33-3)30(32)28(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,22,25,28-30H,4,19-21H2,1-3H3
InChIKeyYLSDCIBLEVIURT-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.06
Rot. Bonds7

About 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine

2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67825350) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67825350
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCCC1CN2CCC1C(N(C)c1ccccc1OC)C2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H36N2O/c1-4-22-21-32-20-19-25(22)29(31(2)26-17-11-12-18-27(26)33-3)30(32)28(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,22,25,28-30H,4,19-21H2,1-3H3
InChIKeyYLSDCIBLEVIURT-UHFFFAOYSA-N
XLogP6.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-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-[bis(4-bromophenyl)methyl]-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67825466
2-benzhydryl-N-methyl-N-(2-methylphenyl)-1-azabicyclo[2.2.1]heptan-3-amine
CID 57048052
N-cyclobutyl-2-methoxy-N-methylaniline
CID 142063552
(2R,3R)-2-benzhydryl-N-cyclopentyl-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 54495837
6-benzhydryl-5-[(2,5-dimethoxyphenyl)methylamino]-N,N-dimethyl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 70116551
(2R,3R)-2-benzhydryl-N-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67825713
(3R,4R,5S,6S)-6-benzhydryl-5-[(2,5-dimethoxyphenyl)methylamino]-N,N-diethyl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 70115526
(3R,4S,5S,6S)-6-benzhydryl-5-[[2-methoxy-5-[methyl(methylsulfonyl)amino]phenyl]methylamino]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 57035720
(3R,4S,5S,6S)-6-benzhydryl-5-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethyl-1-azabicyclo[2.2.2]octane-3-carboxamide;dihydrochloride
CID 70115477
(3R,4S,5S,6R)-6-benzhydryl-N,N-diethyl-5-[(5-ethyl-2-methoxyphenyl)methylamino]-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 139622231
(3R,4S,5S,6S)-6-benzhydryl-5-[(2-methoxy-5-methylphenyl)methylamino]-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 57051463
6-benzhydryl-N,N-diethyl-5-[(5-ethyl-2-methoxyphenyl)methylamino]-1-azabicyclo[2.2.2]octane-3-carboxamide;dihydrochloride
CID 67912564

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 67825350) is 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is CCC1CN2CCC1C(N(C)c1ccccc1OC)C2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is YLSDCIBLEVIURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-4-22-21-32-20-19-25(22)29(31(2)26-17-11-12-18-27(26)33-3)30(32)28(23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-18,22,25,28-30H,4,19-21H2,1-3H3.
What are the key properties of 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine?
2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 440.63 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-ethyl-N-(2-methoxyphenyl)-N-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67825350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).