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

C15H17FN2O — CID 104862516

IUPAC4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc(F)nc1
InChIInChI=1S/C15H17FN2O/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
InChIKeyQICZTBNXOMZUOE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.36
Rot. Bonds5

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

4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol (PubChem CID 104862516) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
PubChem CID104862516
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)Nc1ccc(F)nc1
InChIInChI=1S/C15H17FN2O/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
InChIKeyQICZTBNXOMZUOE-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.36
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

2,6-Difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl]phenol
CID 73010393
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650
2-({[(Pyridin-2-yl)methyl]amino}methyl)phenol
CID 3924669
4-(Pyridin-2-ylmethyl)phenol
CID 603599
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
N-[(4-ethylphenoxy)-methylphosphoryl]pyridin-3-amine
CID 2430858
Pyridinium, 4-[2-(4-hydroxyphenyl)ethenyl]-1-methyl-
CID 209741
3-[[[5-(4-Hydroxyphenyl)pyridin-3-yl]amino]methyl]phenol
CID 11197100
4-[5-[(3,4-Difluorophenyl)methylamino]-3-pyridinyl]phenol
CID 11652532
4-[5-[(4-Chlorophenyl)methylamino]-3-pyridinyl]phenol
CID 11666742
3-Fluoro-4''-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-4-ol
CID 49799473
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol?
The IUPAC name of 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol (CID 104862516) is 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol.
What is the SMILES notation for 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol?
The canonical SMILES for 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol is CC(CCc1ccc(O)cc1)Nc1ccc(F)nc1.
What is the InChIKey of 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol?
The InChIKey is QICZTBNXOMZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/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-fluoro-3-pyridinyl)amino]butyl]phenol?
4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol is sourced from PubChem (CID 104862516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).