4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol

C14H15FN2O — CID 116812806

IUPAC4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1cccc(F)n1
InChIInChI=1S/C14H15FN2O/c1-10(9-11-5-7-12(18)8-6-11)16-14-4-2-3-13(15)17-14/h2-8,10,18H,9H2,1H3,(H,16,17)
InChIKeyQNUPDNAYKFBQNP-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.97
Rot. Bonds4

About 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol

4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol (PubChem CID 116812806) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
PubChem CID116812806
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1cccc(F)n1
InChIInChI=1S/C14H15FN2O/c1-10(9-11-5-7-12(18)8-6-11)16-14-4-2-3-13(15)17-14/h2-8,10,18H,9H2,1H3,(H,16,17)
InChIKeyQNUPDNAYKFBQNP-UHFFFAOYSA-N
XLogP2.97
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.97
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-N-ethyl-6-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-2,6-diamine
CID 80824062
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
6-fluoro-N-pent-4-yn-2-ylpyridin-2-amine
CID 103705067
6-fluoro-N-[1-(2-methoxyphenyl)propan-2-yl]pyridin-2-amine
CID 115591110
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
6-fluoro-N-heptan-2-ylpyridin-2-amine
CID 61466659
6-fluoro-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 62735334
N-[1-(4-fluorophenyl)propan-2-yl]quinolin-2-amine
CID 63541693
4-[2-(3-propan-2-ylanilino)propyl]phenol
CID 115493965
N-[1-(4-fluorophenyl)propan-2-yl]pyridazin-3-amine
CID 62995551
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-[2-(4-fluoro-3-methylanilino)propyl]phenol
CID 115494328

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol (CID 116812806) is 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)Nc1cccc(F)n1.
What is the InChIKey of 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol?
The InChIKey is QNUPDNAYKFBQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(9-11-5-7-12(18)8-6-11)16-14-4-2-3-13(15)17-14/h2-8,10,18H,9H2,1H3,(H,16,17).
What are the key properties of 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol?
4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol has a molecular weight of 246.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-fluoro-2-pyridinyl)amino]propyl]phenol is sourced from PubChem (CID 116812806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).