2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline

C₁₄H₂₁BrN₂ — CID 82972417

About 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline

2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline (PubChem CID 82972417) has the molecular formula C₁₄H₂₁BrN₂ and a molecular weight of 297.24 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline.

Molecular Properties

• Compound Name: 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
• PubChem CID: 82972417
• Molecular Formula: C₁₄H₂₁BrN₂
• Molecular Weight: 297.24 g/mol
• Exact Mass: 296.09
• IUPAC Name: 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
• SMILES: CC(N)c1cc(Br)ccc1N(C)C1CCCC1
• InChI: InChI=1S/C14H21BrN2/c1-10(16)13-9-11(15)7-8-14(13)17(2)12-5-3-4-6-12/h7-10,12H,3-6,16H2,1-2H3
• InChIKey: POFVZZLPQZYHMI-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.24
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?

The IUPAC name of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline (CID 82972417) is 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline.

What is the SMILES notation for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?

The canonical SMILES for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline is CC(N)c1cc(Br)ccc1N(C)C1CCCC1.

What is the InChIKey of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?

The InChIKey is POFVZZLPQZYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-10(16)13-9-11(15)7-8-14(13)17(2)12-5-3-4-6-12/h7-10,12H,3-6,16H2,1-2H3.

What are the key properties of 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline?

2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 82972417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82972417 — identifiers, structure, computed properties (public domain)

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