8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H21BrN2O — CID 61234951

IUPAC8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Br)cc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C15H21BrN2O/c1-19-15-5-2-11(16)6-10(15)9-18-13-3-4-14(18)8-12(17)7-13/h2,5-6,12-14H,3-4,7-9,17H2,1H3
InChIKeyLHPYWLOIGNKTCT-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.91
Rot. Bonds3

About 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61234951) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61234951
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1ccc(Br)cc1CN1C2CCC1CC(N)C2
InChIInChI=1S/C15H21BrN2O/c1-19-15-5-2-11(16)6-10(15)9-18-13-3-4-14(18)8-12(17)7-13/h2,5-6,12-14H,3-4,7-9,17H2,1H3
InChIKeyLHPYWLOIGNKTCT-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(4,5-dimethoxy-2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61235946
3-bromo-8-[(2-methoxy-5-methylphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80668841
8-[(5-amino-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764113
8-[(3-fluoro-4-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55148889
3-bromo-8-[(5-chloro-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 80669272
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
3-[(5-bromo-2-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 79465786
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61234951) is 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is COc1ccc(Br)cc1CN1C2CCC1CC(N)C2.
What is the InChIKey of 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LHPYWLOIGNKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-19-15-5-2-11(16)6-10(15)9-18-13-3-4-14(18)8-12(17)7-13/h2,5-6,12-14H,3-4,7-9,17H2,1H3.
What are the key properties of 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 325.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61234951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).