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

C15H21BrN2 — CID 55019679

IUPAC1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CC2CCC1C2
InChIInChI=1S/C15H21BrN2/c1-10(17)15(12-3-2-4-13(16)8-12)18-9-11-5-6-14(18)7-11/h2-4,8,10-11,14-15H,5-7,9,17H2,1H3
InChIKeyWYJMLNYPNKPVMT-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.32
Rot. Bonds3

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

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine (PubChem CID 55019679) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
PubChem CID55019679
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine
SMILESCC(N)C(c1cccc(Br)c1)N1CC2CCC1C2
InChIInChI=1S/C15H21BrN2/c1-10(17)15(12-3-2-4-13(16)8-12)18-9-11-5-6-14(18)7-11/h2-4,8,10-11,14-15H,5-7,9,17H2,1H3
InChIKeyWYJMLNYPNKPVMT-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020075
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 55015049
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(2-chlorophenyl)propan-2-amine
CID 55022515
1-(3-bromophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171539
11-[1-(3-bromophenyl)ethyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
CID 58926572
2-[2-amino-1-(3-bromophenyl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82857252
1-(3-bromophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019574
1-(3-bromophenyl)-1-(3-methoxypiperidin-1-yl)propan-2-amine
CID 102956347
1-(3-bromophenyl)-1-(4-propylpiperidin-1-yl)propan-2-amine
CID 63404037
1-(3-bromophenyl)-1-[3-(methoxymethyl)piperidin-1-yl]propan-2-amine
CID 106585979
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474831
1-(3-bromophenyl)-1-(4,4-dimethylazepan-1-yl)propan-2-amine
CID 65283859

Frequently Asked Questions

What is the IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine?
The IUPAC name of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine (CID 55019679) is 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine?
The canonical SMILES for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine is CC(N)C(c1cccc(Br)c1)N1CC2CCC1C2.
What is the InChIKey of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine?
The InChIKey is WYJMLNYPNKPVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-10(17)15(12-3-2-4-13(16)8-12)18-9-11-5-6-14(18)7-11/h2-4,8,10-11,14-15H,5-7,9,17H2,1H3.
What are the key properties of 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine?
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine has a molecular weight of 309.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-bromophenyl)propan-2-amine is sourced from PubChem (CID 55019679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).