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

C17H25BrN2 — CID 61231048

IUPACN-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccc(Br)cc1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25BrN2/c1-3-17(12-4-6-13(18)7-5-12)20(2)16-10-14-8-9-15(11-16)19-14/h4-7,14-17,19H,3,8-11H2,1-2H3
InChIKeyFJWQAFYFYMGCDN-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.11
Rot. Bonds4

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

N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231048) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231048
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCC(c1ccc(Br)cc1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25BrN2/c1-3-17(12-4-6-13(18)7-5-12)20(2)16-10-14-8-9-15(11-16)19-14/h4-7,14-17,19H,3,8-11H2,1-2H3
InChIKeyFJWQAFYFYMGCDN-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230921
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
N-[2,2-bis(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836447
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231866
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-5-bromobenzonitrile
CID 114893906
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231048) is N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CCC(c1ccc(Br)cc1)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FJWQAFYFYMGCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-3-17(12-4-6-13(18)7-5-12)20(2)16-10-14-8-9-15(11-16)19-14/h4-7,14-17,19H,3,8-11H2,1-2H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 337.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).