2-(1-aminocyclopentyl)-4-bromoaniline

C11H15BrN2 — CID 89287686

IUPAC2-(1-aminocyclopentyl)-4-bromoaniline
SMILESNc1ccc(Br)cc1C1(N)CCCC1
InChIInChI=1S/C11H15BrN2/c12-8-3-4-10(13)9(7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,13-14H2
InChIKeyWQNNDSXRMWLRKS-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.76
Rot. Bonds1

About 2-(1-aminocyclopentyl)-4-bromoaniline

2-(1-aminocyclopentyl)-4-bromoaniline (PubChem CID 89287686) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-4-bromoaniline.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-4-bromoaniline
PubChem CID89287686
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name2-(1-aminocyclopentyl)-4-bromoaniline
SMILESNc1ccc(Br)cc1C1(N)CCCC1
InChIInChI=1S/C11H15BrN2/c12-8-3-4-10(13)9(7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,13-14H2
InChIKeyWQNNDSXRMWLRKS-UHFFFAOYSA-N
XLogP2.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-4-bromoaniline?
The IUPAC name of 2-(1-aminocyclopentyl)-4-bromoaniline (CID 89287686) is 2-(1-aminocyclopentyl)-4-bromoaniline.
What is the SMILES notation for 2-(1-aminocyclopentyl)-4-bromoaniline?
The canonical SMILES for 2-(1-aminocyclopentyl)-4-bromoaniline is Nc1ccc(Br)cc1C1(N)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-4-bromoaniline?
The InChIKey is WQNNDSXRMWLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-8-3-4-10(13)9(7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,13-14H2.
What are the key properties of 2-(1-aminocyclopentyl)-4-bromoaniline?
2-(1-aminocyclopentyl)-4-bromoaniline has a molecular weight of 255.16 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-4-bromoaniline is sourced from PubChem (CID 89287686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).