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

C15H21FN2O — CID 55148889

IUPAC8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CN2C3CCC2CC(N)C3)cc1F
InChIInChI=1S/C15H21FN2O/c1-19-15-5-2-10(6-14(15)16)9-18-12-3-4-13(18)8-11(17)7-12/h2,5-6,11-13H,3-4,7-9,17H2,1H3
InChIKeyNMVVBUFNUWZANR-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.29
Rot. Bonds3

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

8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55148889) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55148889
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(CN2C3CCC2CC(N)C3)cc1F
InChIInChI=1S/C15H21FN2O/c1-19-15-5-2-10(6-14(15)16)9-18-12-3-4-13(18)8-11(17)7-12/h2,5-6,11-13H,3-4,7-9,17H2,1H3
InChIKeyNMVVBUFNUWZANR-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-[(4-bromo-3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81436346
8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233101
8-[(2-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 102877720
8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235946
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
3-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine
CID 63388157
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
2-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 20511335
5-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzonitrile
CID 65344235
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 55148889) is 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(CN2C3CCC2CC(N)C3)cc1F.
What is the InChIKey of 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NMVVBUFNUWZANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-19-15-5-2-10(6-14(15)16)9-18-12-3-4-13(18)8-11(17)7-12/h2,5-6,11-13H,3-4,7-9,17H2,1H3.
What are the key properties of 8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(3-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-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55148889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).