3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine

C17H25BrN2 — CID 62619810

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CCN1CC2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-2-19-17(14-4-6-15(18)7-5-14)9-10-20-12-13-3-8-16(20)11-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3
InChIKeyXJQGAZADNFJHFA-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.97
Rot. Bonds6

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine (PubChem CID 62619810) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
PubChem CID62619810
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
SMILESCCNC(CCN1CC2CCC1C2)c1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2/c1-2-19-17(14-4-6-15(18)7-5-14)9-10-20-12-13-3-8-16(20)11-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3
InChIKeyXJQGAZADNFJHFA-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-methylphenyl)propan-1-amine
CID 62617406
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62644007
1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
N-ethyl-1-(4-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613985
N-ethyl-1-(4-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 62617686
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
CID 102871015
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine (CID 62619810) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine is CCNC(CCN1CC2CCC1C2)c1ccc(Br)cc1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine?
The InChIKey is XJQGAZADNFJHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c1-2-19-17(14-4-6-15(18)7-5-14)9-10-20-12-13-3-8-16(20)11-13/h4-7,13,16-17,19H,2-3,8-12H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine has a molecular weight of 337.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 62619810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).