1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine

C15H21BrN2O — CID 82968673

IUPAC1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1N1CC2CCC(C1)O2
InChIInChI=1S/C15H21BrN2O/c1-10(17-2)14-7-11(16)3-6-15(14)18-8-12-4-5-13(9-18)19-12/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3
InChIKeyIBRQUBCBEFHNJP-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.10
Rot. Bonds3

About 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine

1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine (PubChem CID 82968673) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
PubChem CID82968673
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1cc(Br)ccc1N1CC2CCC(C1)O2
InChIInChI=1S/C15H21BrN2O/c1-10(17-2)14-7-11(16)3-6-15(14)18-8-12-4-5-13(9-18)19-12/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3
InChIKeyIBRQUBCBEFHNJP-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine
CID 66391336
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromophenyl]-N-methylethanamine
CID 82955447
1-[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-ethylethanamine
CID 104959026
1-[5-bromo-2-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968937
1-[5-bromo-2-(2,5-dimethylmorpholin-4-yl)phenyl]-N-methylethanamine
CID 82971718
2-[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]oxyethanol
CID 82955668
N-[1-[5-bromo-2-(2,6-dimethylmorpholin-4-yl)phenyl]ethyl]propan-1-amine
CID 82954401
4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperazin-2-one
CID 82971865
N-[[4-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 66371144
1-[4-bromo-2-(4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82972089
[4-[4-bromo-2-[1-(methylamino)ethyl]phenyl]-5-methylmorpholin-2-yl]methanol
CID 82967971

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine (CID 82968673) is 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine is CNC(C)c1cc(Br)ccc1N1CC2CCC(C1)O2.
What is the InChIKey of 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine?
The InChIKey is IBRQUBCBEFHNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(17-2)14-7-11(16)3-6-15(14)18-8-12-4-5-13(9-18)19-12/h3,6-7,10,12-13,17H,4-5,8-9H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine?
1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine has a molecular weight of 325.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82968673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).