1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine

C15H24BrN3 — CID 63794895

IUPAC1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCC(N(C)C)C1
InChIInChI=1S/C15H24BrN3/c1-11(17)8-12-4-5-13(16)9-15(12)19-7-6-14(10-19)18(2)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3
InChIKeyFVLRYQIAGBMOAL-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.48
Rot. Bonds4

About 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63794895) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63794895
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(N)Cc1ccc(Br)cc1N1CCC(N(C)C)C1
InChIInChI=1S/C15H24BrN3/c1-11(17)8-12-4-5-13(16)9-15(12)19-7-6-14(10-19)18(2)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3
InChIKeyFVLRYQIAGBMOAL-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine (CID 63794895) is 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine is CC(N)Cc1ccc(Br)cc1N1CCC(N(C)C)C1.
What is the InChIKey of 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FVLRYQIAGBMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11(17)8-12-4-5-13(16)9-15(12)19-7-6-14(10-19)18(2)3/h4-5,9,11,14H,6-8,10,17H2,1-3H3.
What are the key properties of 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 326.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminopropyl)-5-bromophenyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63794895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).