6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C19H29NO — CID 2845718

IUPAC6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCOc1ccc(CN2CC3(C)CC2CC(C)(C)C3)cc1C
InChIInChI=1S/C19H29NO/c1-14-8-15(6-7-17(14)21-5)11-20-13-19(4)10-16(20)9-18(2,3)12-19/h6-8,16H,9-13H2,1-5H3
InChIKeyXZAIEAHEMJYUPQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.40
Rot. Bonds3

About 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (PubChem CID 2845718) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
PubChem CID2845718
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
SMILESCOc1ccc(CN2CC3(C)CC2CC(C)(C)C3)cc1C
InChIInChI=1S/C19H29NO/c1-14-8-15(6-7-17(14)21-5)11-20-13-19(4)10-16(20)9-18(2,3)12-19/h6-8,16H,9-13H2,1-5H3
InChIKeyXZAIEAHEMJYUPQ-UHFFFAOYSA-N
XLogP4.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]aniline
CID 82256067
(1R,5R)-6-[(4-chlorophenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 50937998
2-(4-methoxy-3-methylphenyl)-3-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 110311784
(1S,5S)-1,3,3-trimethyl-6-[(4-nitrophenyl)methyl]-6-azabicyclo[3.2.1]octane
CID 98108756
(1S,5R)-6-[(1,4-dimethylpyrazol-5-yl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane
CID 77086156
8-methoxy-4-methyl-2-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]quinoline
CID 98114849
1-(3,4-dimethylphenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanol
CID 82215778
[2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]phenyl]methanamine
CID 82135544
1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-2-ol
CID 123223868
5-methyl-4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]furan-2-carboxylic acid
CID 20991300
(3,4-dimethoxyphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928969
1-[(4-methoxy-3-methylphenyl)methyl]-2,2-dimethylpiperazine
CID 65463120

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The IUPAC name of 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane (CID 2845718) is 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane.
What is the SMILES notation for 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The canonical SMILES for 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is COc1ccc(CN2CC3(C)CC2CC(C)(C)C3)cc1C.
What is the InChIKey of 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
The InChIKey is XZAIEAHEMJYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-8-15(6-7-17(14)21-5)11-20-13-19(4)10-16(20)9-18(2,3)12-19/h6-8,16H,9-13H2,1-5H3.
What are the key properties of 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane?
6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane has a molecular weight of 287.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxy-3-methylphenyl)methyl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane is sourced from PubChem (CID 2845718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).