4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol

C15H17BrN2O — CID 104862530

IUPAC4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C15H17BrN2O/c1-11(18-13-6-9-15(16)17-10-13)2-3-12-4-7-14(19)8-5-12/h4-11,18-19H,2-3H2,1H3
InChIKeyKIJMXGIQXFQCFT-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.98
Rot. Bonds5

About 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol

4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol (PubChem CID 104862530) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
PubChem CID104862530
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C15H17BrN2O/c1-11(18-13-6-9-15(16)17-10-13)2-3-12-4-7-14(19)8-5-12/h4-11,18-19H,2-3H2,1H3
InChIKeyKIJMXGIQXFQCFT-UHFFFAOYSA-N
XLogP3.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
4-[3-(4-bromo-3-chloroanilino)butyl]phenol
CID 107618811
4-[3-[(1-methylpyrazol-4-yl)amino]butyl]phenol
CID 43534909
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
4-[3-(3,5-difluoroanilino)butyl]phenol
CID 43196014
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-[3-(2,5-dibromoanilino)butyl]phenol
CID 43736822
4-[3-(2-bromo-4-chloroanilino)butyl]phenol
CID 81263195
N-[5-[4-(4-hydroxyphenyl)butan-2-ylamino]-2-methylphenyl]methanesulfonamide
CID 75509356
3-[4-(4-hydroxyphenyl)butan-2-ylamino]benzamide
CID 43202886
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
4-[2-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 115494265

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol (CID 104862530) is 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol is CC(CCc1ccc(O)cc1)Nc1ccc(Br)nc1.
What is the InChIKey of 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol?
The InChIKey is KIJMXGIQXFQCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11(18-13-6-9-15(16)17-10-13)2-3-12-4-7-14(19)8-5-12/h4-11,18-19H,2-3H2,1H3.
What are the key properties of 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol?
4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol has a molecular weight of 321.22 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-bromo-3-pyridinyl)amino]butyl]phenol is sourced from PubChem (CID 104862530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).