2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline

C15H23BrN2 — CID 63785627

IUPAC2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)C1CCCC1
InChIInChI=1S/C15H23BrN2/c1-11(17)9-12-7-8-13(16)10-15(12)18(2)14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,17H2,1-2H3
InChIKeyUTGAOMSUTBSHHY-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds4

About 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline

2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline (PubChem CID 63785627) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline.

Molecular Properties

Compound Name2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
PubChem CID63785627
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline
SMILESCC(N)Cc1ccc(Br)cc1N(C)C1CCCC1
InChIInChI=1S/C15H23BrN2/c1-11(17)9-12-7-8-13(16)10-15(12)18(2)14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,17H2,1-2H3
InChIKeyUTGAOMSUTBSHHY-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline?
The IUPAC name of 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline (CID 63785627) is 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline.
What is the SMILES notation for 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline?
The canonical SMILES for 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline is CC(N)Cc1ccc(Br)cc1N(C)C1CCCC1.
What is the InChIKey of 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline?
The InChIKey is UTGAOMSUTBSHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11(17)9-12-7-8-13(16)10-15(12)18(2)14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,17H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline?
2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline has a molecular weight of 311.27 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-5-bromo-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 63785627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).