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

C15H21BrN2O — CID 82857646

IUPACN-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(NC2CC3CCC(C2)N3C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-18-12-4-5-13(18)8-11(7-12)17-10-3-6-14(16)15(9-10)19-2/h3,6,9,11-13,17H,4-5,7-8H2,1-2H3
InChIKeyGIIAAHCONYBBTB-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.49
Rot. Bonds3

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

N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82857646) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82857646
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCOc1cc(NC2CC3CCC(C2)N3C)ccc1Br
InChIInChI=1S/C15H21BrN2O/c1-18-12-4-5-13(18)8-11(7-12)17-10-3-6-14(16)15(9-10)19-2/h3,6,9,11-13,17H,4-5,7-8H2,1-2H3
InChIKeyGIIAAHCONYBBTB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
4-bromo-3-methoxy-N-(4-propan-2-ylcyclohexyl)aniline
CID 82858349
N-(3-bromo-4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113451938
4-bromo-3-methoxy-N-(4-methoxycyclohexyl)aniline
CID 113414428
N-(4-bromo-3-methoxyphenyl)thian-4-amine
CID 79479282
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
(3S)-N-(4-bromo-3-methoxyphenyl)thiolan-3-amine
CID 97358692
4-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-3-methoxyaniline
CID 82859728
N-(3-chloro-4-propan-2-yloxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43727165
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353
8-methyl-N-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 18363250
2-(4-bromo-3-methoxyanilino)cyclohexan-1-ol
CID 82868019

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 82857646) is N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is COc1cc(NC2CC3CCC(C2)N3C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GIIAAHCONYBBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18-12-4-5-13(18)8-11(7-12)17-10-3-6-14(16)15(9-10)19-2/h3,6,9,11-13,17H,4-5,7-8H2,1-2H3.
What are the key properties of N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 325.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82857646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).