8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H20BrClN2 — CID 82773880

IUPAC8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(Br)cc1Cl)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H20BrClN2/c1-9(14-5-2-10(16)6-15(14)17)19-12-3-4-13(19)8-11(18)7-12/h2,5-6,9,11-13H,3-4,7-8,18H2,1H3
InChIKeyBGXGXXACTAFWMN-UHFFFAOYSA-N
MW343.70 g/mol
LogP4.12
Rot. Bonds2

About 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 82773880) has the molecular formula C15H20BrClN2 and a molecular weight of 343.70 g/mol. Its IUPAC name is 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID82773880
Molecular FormulaC15H20BrClN2
Molecular Weight343.70 g/mol
Exact Mass342.05
IUPAC Name8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(c1ccc(Br)cc1Cl)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H20BrClN2/c1-9(14-5-2-10(16)6-15(14)17)19-12-3-4-13(19)8-11(18)7-12/h2,5-6,9,11-13H,3-4,7-8,18H2,1H3
InChIKeyBGXGXXACTAFWMN-UHFFFAOYSA-N
XLogP4.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.70
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

1-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 82773660
2-[1-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)ethyl]phenol
CID 61231577
4-N-[1-(4-bromo-2-chlorophenyl)ethyl]cyclohexane-1,4-diamine
CID 82774115
2-[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82774438
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
N-[[1-[1-(4-bromo-2-chlorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 82778922
1-[1-(4-bromo-2-chlorophenyl)ethyl]piperazine
CID 82773468
(S)-(4-bromo-2-chlorophenyl)-cyclopropylmethanamine
CID 130618338
1-(4-bromo-2-chlorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 82773811
8-[1-(3,4-difluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233291
8-(1-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233082
2-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanamine
CID 103494603

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 82773880) is 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CC(c1ccc(Br)cc1Cl)N1C2CCC1CC(N)C2.
What is the InChIKey of 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BGXGXXACTAFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2/c1-9(14-5-2-10(16)6-15(14)17)19-12-3-4-13(19)8-11(18)7-12/h2,5-6,9,11-13H,3-4,7-8,18H2,1H3.
What are the key properties of 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 343.70 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-bromo-2-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 82773880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).