8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H21FN2O — CID 102877720

IUPAC8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CN2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-19-14-5-2-10(15(16)8-14)9-18-12-3-4-13(18)7-11(17)6-12/h2,5,8,11-13H,3-4,6-7,9,17H2,1H3
InChIKeyFQDKFMNWOZBAHR-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.29
Rot. Bonds3

About 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 102877720) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID102877720
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CN2C3CCC2CC(N)C3)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-19-14-5-2-10(15(16)8-14)9-18-12-3-4-13(18)7-11(17)6-12/h2,5,8,11-13H,3-4,6-7,9,17H2,1H3
InChIKeyFQDKFMNWOZBAHR-UHFFFAOYSA-N
XLogP2.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
4-[(3-amino-8-azabicyclo[3.2.1]octan-8-yl)methyl]-3-fluorobenzamide
CID 61233906
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235946
4-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 102876123
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylazetidin-3-amine
CID 102879115
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 102878603
8-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 82892806
1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methoxyphenyl)ethanone
CID 61234245
1-[(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylpiperazine
CID 102877748
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 102877030

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 102877720) is 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(CN2C3CCC2CC(N)C3)c(F)c1.
What is the InChIKey of 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FQDKFMNWOZBAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-14-5-2-10(15(16)8-14)9-18-12-3-4-13(18)7-11(17)6-12/h2,5,8,11-13H,3-4,6-7,9,17H2,1H3.
What are the key properties of 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 264.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 102877720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).