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

C19H24N2OS — CID 67924228

IUPACN-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1ccsc1CNC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-22-16-9-12-23-17(16)13-20-18-14-7-10-21(11-8-14)19(18)15-5-3-2-4-6-15/h2-6,9,12,14,18-20H,7-8,10-11,13H2,1H3
InChIKeySCHZTMHSICDMKO-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.68
Rot. Bonds5

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

N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67924228) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67924228
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCOc1ccsc1CNC1C2CCN(CC2)C1c1ccccc1
InChIInChI=1S/C19H24N2OS/c1-22-16-9-12-23-17(16)13-20-18-14-7-10-21(11-8-14)19(18)15-5-3-2-4-6-15/h2-6,9,12,14,18-20H,7-8,10-11,13H2,1H3
InChIKeySCHZTMHSICDMKO-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine with MolForge

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Related Compounds

2-benzhydryl-N-[(3-methoxythiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811737
N-[(2-methoxyphenyl)methyl]-2-phenyl-1-azabicyclo[2.2.1]heptan-3-amine
CID 57312448
N-[(2-chlorophenyl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67591095
N-[(3-methoxythiophen-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115711072
2-[(3-methoxythiophen-2-yl)methylamino]cyclopentan-1-ol
CID 115710956
(2S,3R)-N-[(2-methoxyphenyl)methyl]-2-[phenyl(thiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825428
N-(2-methoxyphenyl)-2-(3-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 67835831
2-ethyl-N-[(3-methoxythiophen-2-yl)methyl]cyclopentan-1-amine
CID 115711130
2-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19383138
N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67918767
2-[(2-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811853
(3R)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 59045714

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine (CID 67924228) is N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine is COc1ccsc1CNC1C2CCN(CC2)C1c1ccccc1.
What is the InChIKey of N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is SCHZTMHSICDMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-22-16-9-12-23-17(16)13-20-18-14-7-10-21(11-8-14)19(18)15-5-3-2-4-6-15/h2-6,9,12,14,18-20H,7-8,10-11,13H2,1H3.
What are the key properties of N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine?
N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 328.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiophen-2-yl)methyl]-2-phenyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67924228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).