8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C15H21BrN2 — CID 55106516

IUPAC8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2/c1-17-13-8-14-6-7-15(9-13)18(14)10-11-2-4-12(16)5-3-11/h2-5,13-15,17H,6-10H2,1H3
InChIKeyPHMZUILYYRHJEM-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.16
Rot. Bonds3

About 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55106516) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55106516
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2Cc1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2/c1-17-13-8-14-6-7-15(9-13)18(14)10-11-2-4-12(16)5-3-11/h2-5,13-15,17H,6-10H2,1H3
InChIKeyPHMZUILYYRHJEM-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 12832203
9-[(4-bromophenyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712363
8-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740542
8-[2-(4-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55107251
N-methyl-8-[(6-methyl-3-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62992548
8-(4-bromophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739801
8-[(4-bromophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 55106469
N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
N-methyl-8-[(2-methylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55204218
8-[(4-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739990
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936

Frequently Asked Questions

What is the IUPAC name of 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55106516) is 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2Cc1ccc(Br)cc1.
What is the InChIKey of 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is PHMZUILYYRHJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-17-13-8-14-6-7-15(9-13)18(14)10-11-2-4-12(16)5-3-11/h2-5,13-15,17H,6-10H2,1H3.
What are the key properties of 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-bromophenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55106516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).