5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol

C15H17FN2O2 — CID 115938609

IUPAC5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
SMILESCCC(Nc1ccc(OC)c(O)c1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2/c1-3-12(13-6-4-10(16)9-17-13)18-11-5-7-15(20-2)14(19)8-11/h4-9,12,18-19H,3H2,1-2H3
InChIKeyHDWAFRCVLCINMS-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.50
Rot. Bonds5

About 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol

5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol (PubChem CID 115938609) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
PubChem CID115938609
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol
SMILESCCC(Nc1ccc(OC)c(O)c1)c1ccc(F)cn1
InChIInChI=1S/C15H17FN2O2/c1-3-12(13-6-4-10(16)9-17-13)18-11-5-7-15(20-2)14(19)8-11/h4-9,12,18-19H,3H2,1-2H3
InChIKeyHDWAFRCVLCINMS-UHFFFAOYSA-N
XLogP3.50
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methoxy-3-methylaniline
CID 115938694
4-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-methylaniline
CID 112582832
[3-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]methanol
CID 112582984
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115938792
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-methoxy-3-methylaniline
CID 83118189
N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylsulfonylaniline
CID 115938417
2-[4-[1-(5-fluoro-2-pyridinyl)propylamino]phenoxy]cyclohexan-1-ol
CID 110011606
5-[1-(3-chlorophenyl)propylamino]-2-methoxyphenol
CID 43743809
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
methyl (2S)-2-[1-(5-fluoro-2-pyridinyl)propylamino]-3-methylbutanoate
CID 103936815
(3,4-dimethoxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722260

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol (CID 115938609) is 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol is CCC(Nc1ccc(OC)c(O)c1)c1ccc(F)cn1.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol?
The InChIKey is HDWAFRCVLCINMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-12(13-6-4-10(16)9-17-13)18-11-5-7-15(20-2)14(19)8-11/h4-9,12,18-19H,3H2,1-2H3.
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol?
5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol has a molecular weight of 276.31 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methoxyphenol is sourced from PubChem (CID 115938609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).