N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine

C16H24N2 — CID 62740307

IUPACN-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C16H24N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyQISYPVCTDYOBKY-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740307) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740307
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2CCc1ccccc1
InChIInChI=1S/C16H24N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyQISYPVCTDYOBKY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
8-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 20524142
2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 45144983
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528
2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 45144977
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106516
8-(2-fluoroethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130504670
(1R,5S)-N-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 750316
8-[2-(cyclohexen-1-yl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107853817
N-methyl-8-[2-(1,2,4-oxadiazol-5-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106408102
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740307) is N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2CCc1ccccc1.
What is the InChIKey of N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QISYPVCTDYOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-17-14-11-15-7-8-16(12-14)18(15)10-9-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3.
What are the key properties of N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).