1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine

C16H23BrN2O — CID 66372166

IUPAC1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCNC(CCN1CC2CCC(C1)O2)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-18-16(12-2-4-13(17)5-3-12)8-9-19-10-14-6-7-15(11-19)20-14/h2-5,14-16,18H,6-11H2,1H3
InChIKeyLTSCVXNYCIFNRY-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine

1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (PubChem CID 66372166) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
PubChem CID66372166
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCNC(CCN1CC2CCC(C1)O2)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-18-16(12-2-4-13(17)5-3-12)8-9-19-10-14-6-7-15(11-19)20-14/h2-5,14-16,18H,6-11H2,1H3
InChIKeyLTSCVXNYCIFNRY-UHFFFAOYSA-N
XLogP2.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine with MolForge

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Related Compounds

N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(4-bromophenyl)-N-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 55099040
1-(4-bromophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635314
1-(4-bromophenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 62617885
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
[1-[3-(4-bromophenyl)-3-(methylamino)propyl]piperidin-2-yl]methanol
CID 62617417
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-bromophenyl)-N,N'-dimethyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62619148
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 64565771

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (CID 66372166) is 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is CNC(CCN1CC2CCC(C1)O2)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The InChIKey is LTSCVXNYCIFNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-18-16(12-2-4-13(17)5-3-12)8-9-19-10-14-6-7-15(11-19)20-14/h2-5,14-16,18H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine has a molecular weight of 339.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is sourced from PubChem (CID 66372166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).