3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine

C15H21BrN2 — CID 62629948

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
SMILESNC(CCN1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c16-14-4-2-1-3-13(14)15(17)7-8-18-10-11-5-6-12(18)9-11/h1-4,11-12,15H,5-10,17H2
InChIKeyOMXCSXZLMLPRGO-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.32
Rot. Bonds4

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine (PubChem CID 62629948) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
PubChem CID62629948
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine
SMILESNC(CCN1CC2CCC1C2)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c16-14-4-2-1-3-13(14)15(17)7-8-18-10-11-5-6-12(18)9-11/h1-4,11-12,15H,5-10,17H2
InChIKeyOMXCSXZLMLPRGO-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine (CID 62629948) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine is NC(CCN1CC2CCC1C2)c1ccccc1Br.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine?
The InChIKey is OMXCSXZLMLPRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c16-14-4-2-1-3-13(14)15(17)7-8-18-10-11-5-6-12(18)9-11/h1-4,11-12,15H,5-10,17H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-bromophenyl)propan-1-amine has a molecular weight of 309.25 g/mol, XLogP of 3.32, 4 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-(2-bromophenyl)propan-1-amine is sourced from PubChem (CID 62629948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).