[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine

C16H24N2 — CID 10131071

IUPAC[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
SMILESCc1ccc(C2CC3CCC(C2CN)N3C)cc1
InChIInChI=1S/C16H24N2/c1-11-3-5-12(6-4-11)14-9-13-7-8-16(18(13)2)15(14)10-17/h3-6,13-16H,7-10,17H2,1-2H3
InChIKeyYQGAFCFESVSXJE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.52
Rot. Bonds2

About [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine

[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine (PubChem CID 10131071) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine.

Molecular Properties

Compound Name[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
PubChem CID10131071
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine
SMILESCc1ccc(C2CC3CCC(C2CN)N3C)cc1
InChIInChI=1S/C16H24N2/c1-11-3-5-12(6-4-11)14-9-13-7-8-16(18(13)2)15(14)10-17/h3-6,13-16H,7-10,17H2,1-2H3
InChIKeyYQGAFCFESVSXJE-UHFFFAOYSA-N
XLogP2.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,3S,5S)-8-methyl-3-(4-methylphenyl)-2-propyl-8-azabicyclo[3.2.1]octane
CID 101073081
(3S,5R)-8-methyl-3-(4-methylphenyl)-2-propan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 159017257
(3R,5R)-8-methyl-3-(4-methylphenyl)-2-phenyl-8-azabicyclo[3.2.1]octane
CID 46878020
(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 10491526
1-[(2R,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 57219794
[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl acetate
CID 71093939
2-[(2S,3R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]acetic acid
CID 68961064
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-propyl-8-azabicyclo[3.2.1]octane
CID 11776555
[(3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl methyl carbonate
CID 59919556
(1R,2S,3S,5S)-2-butyl-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 10085686
2-(6-chloro-3-pyridinyl)-7-methyl-7-azabicyclo[2.2.1]heptane
CID 11601009
(3R,5R)-2,3-bis(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane
CID 46878025

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The IUPAC name of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine (CID 10131071) is [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine.
What is the SMILES notation for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The canonical SMILES for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine is Cc1ccc(C2CC3CCC(C2CN)N3C)cc1.
What is the InChIKey of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
The InChIKey is YQGAFCFESVSXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-3-5-12(6-4-11)14-9-13-7-8-16(18(13)2)15(14)10-17/h3-6,13-16H,7-10,17H2,1-2H3.
What are the key properties of [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine?
[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]methanamine is sourced from PubChem (CID 10131071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).