5-(5-bromo-2-chloroanilino)pentan-1-ol

C11H15BrClNO — CID 62914130

IUPAC5-(5-bromo-2-chloroanilino)pentan-1-ol
SMILESOCCCCCNc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNO/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2
InChIKeyYXSQDBAJRFPAFI-UHFFFAOYSA-N
MW292.60 g/mol
LogP3.68
Rot. Bonds6

About 5-(5-bromo-2-chloroanilino)pentan-1-ol

5-(5-bromo-2-chloroanilino)pentan-1-ol (PubChem CID 62914130) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 5-(5-bromo-2-chloroanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(5-bromo-2-chloroanilino)pentan-1-ol
PubChem CID62914130
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name5-(5-bromo-2-chloroanilino)pentan-1-ol
SMILESOCCCCCNc1cc(Br)ccc1Cl
InChIInChI=1S/C11H15BrClNO/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2
InChIKeyYXSQDBAJRFPAFI-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chloroanilino)pentan-1-ol?
The IUPAC name of 5-(5-bromo-2-chloroanilino)pentan-1-ol (CID 62914130) is 5-(5-bromo-2-chloroanilino)pentan-1-ol.
What is the SMILES notation for 5-(5-bromo-2-chloroanilino)pentan-1-ol?
The canonical SMILES for 5-(5-bromo-2-chloroanilino)pentan-1-ol is OCCCCCNc1cc(Br)ccc1Cl.
What is the InChIKey of 5-(5-bromo-2-chloroanilino)pentan-1-ol?
The InChIKey is YXSQDBAJRFPAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNO/c12-9-4-5-10(13)11(8-9)14-6-2-1-3-7-15/h4-5,8,14-15H,1-3,6-7H2.
What are the key properties of 5-(5-bromo-2-chloroanilino)pentan-1-ol?
5-(5-bromo-2-chloroanilino)pentan-1-ol has a molecular weight of 292.60 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chloroanilino)pentan-1-ol is sourced from PubChem (CID 62914130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).