2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol

C14H15FN2O — CID 29039016

IUPAC2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
SMILESC[C@@H](NCc1cccnc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(12-4-5-14(18)13(15)7-12)17-9-11-3-2-6-16-8-11/h2-8,10,17-18H,9H2,1H3/t10-/m1/s1
InChIKeyDABUAXHMGXYCLF-SNVBAGLBSA-N
MW246.29 g/mol
LogP2.78
Rot. Bonds4

About 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol

2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol (PubChem CID 29039016) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
PubChem CID29039016
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
SMILESC[C@@H](NCc1cccnc1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(12-4-5-14(18)13(15)7-12)17-9-11-3-2-6-16-8-11/h2-8,10,17-18H,9H2,1H3/t10-/m1/s1
InChIKeyDABUAXHMGXYCLF-SNVBAGLBSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038794
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
2-fluoro-4-[(1R)-1-(propylamino)ethyl]phenol
CID 29080220
2-fluoro-4-[(1S)-1-(2-hydroxyethylamino)ethyl]phenol
CID 29038991
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
4-fluoro-N-[4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenyl]benzamide
CID 94535067
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685896

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol?
The IUPAC name of 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol (CID 29039016) is 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol?
The canonical SMILES for 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol is C[C@@H](NCc1cccnc1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol?
The InChIKey is DABUAXHMGXYCLF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(12-4-5-14(18)13(15)7-12)17-9-11-3-2-6-16-8-11/h2-8,10,17-18H,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol?
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol has a molecular weight of 246.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 29039016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).