2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine

C16H24N2 — CID 117363509

IUPAC2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C23CCN(CC2)CC3)cc1
InChIInChI=1S/C16H24N2/c1-17-10-6-14-2-4-15(5-3-14)16-7-11-18(12-8-16)13-9-16/h2-5,17H,6-13H2,1H3
InChIKeyVNZNBXBWDWQDFX-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine

2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine (PubChem CID 117363509) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine
PubChem CID117363509
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C23CCN(CC2)CC3)cc1
InChIInChI=1S/C16H24N2/c1-17-10-6-14-2-4-15(5-3-14)16-7-11-18(12-8-16)13-9-16/h2-5,17H,6-13H2,1H3
InChIKeyVNZNBXBWDWQDFX-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]ethanamine
CID 117108065
2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
CID 84725250
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
2-[4-[(1-fluorocyclopentyl)methyl]phenyl]-N-methylethanamine
CID 84727142
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
1-methyl-4-[4-[2-(methylamino)ethyl]phenyl]piperazin-2-one
CID 117371591
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
CID 112518014
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine (CID 117363509) is 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine is CNCCc1ccc(C23CCN(CC2)CC3)cc1.
What is the InChIKey of 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine?
The InChIKey is VNZNBXBWDWQDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-10-6-14-2-4-15(5-3-14)16-7-11-18(12-8-16)13-9-16/h2-5,17H,6-13H2,1H3.
What are the key properties of 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine?
2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine has a molecular weight of 244.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-azabicyclo[2.2.2]octan-4-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117363509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).