1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine

C15H21BrN2 — CID 114061955

IUPAC1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1N1CC2CCC1C2
InChIInChI=1S/C15H21BrN2/c1-10(17)6-12-8-13(16)3-5-15(12)18-9-11-2-4-14(18)7-11/h3,5,8,10-11,14H,2,4,6-7,9,17H2,1H3
InChIKeyBQHOXPDHIHLROE-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.33
Rot. Bonds3

About 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine

1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine (PubChem CID 114061955) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
PubChem CID114061955
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine
SMILESCC(N)Cc1cc(Br)ccc1N1CC2CCC1C2
InChIInChI=1S/C15H21BrN2/c1-10(17)6-12-8-13(16)3-5-15(12)18-9-11-2-4-14(18)7-11/h3,5,8,10-11,14H,2,4,6-7,9,17H2,1H3
InChIKeyBQHOXPDHIHLROE-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine (CID 114061955) is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine is CC(N)Cc1cc(Br)ccc1N1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine?
The InChIKey is BQHOXPDHIHLROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10(17)6-12-8-13(16)3-5-15(12)18-9-11-2-4-14(18)7-11/h3,5,8,10-11,14H,2,4,6-7,9,17H2,1H3.
What are the key properties of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine?
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine has a molecular weight of 309.25 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromophenyl]propan-2-amine is sourced from PubChem (CID 114061955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).