2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol

C14H15FN2O — CID 103780351

IUPAC2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cncc(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(12-6-13(15)9-16-7-12)17-8-11-4-2-3-5-14(11)18/h2-7,9-10,17-18H,8H2,1H3
InChIKeyFTYHYNMECPQFIQ-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.78
Rot. Bonds4

About 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol

2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol (PubChem CID 103780351) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
PubChem CID103780351
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
SMILESCC(NCc1ccccc1O)c1cncc(F)c1
InChIInChI=1S/C14H15FN2O/c1-10(12-6-13(15)9-16-7-12)17-8-11-4-2-3-5-14(11)18/h2-7,9-10,17-18H,8H2,1H3
InChIKeyFTYHYNMECPQFIQ-UHFFFAOYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
4-fluoro-2-[[1-(3-fluorophenyl)ethylamino]methyl]phenol
CID 103947979
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 103779314
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
N-[[4-(difluoromethoxy)phenyl]methyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103776062
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 75502451
2-[(1-naphthalen-2-ylethylamino)methyl]phenol
CID 115602905
2-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
CID 28645228

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol?
The IUPAC name of 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol (CID 103780351) is 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol is CC(NCc1ccccc1O)c1cncc(F)c1.
What is the InChIKey of 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol?
The InChIKey is FTYHYNMECPQFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-10(12-6-13(15)9-16-7-12)17-8-11-4-2-3-5-14(11)18/h2-7,9-10,17-18H,8H2,1H3.
What are the key properties of 2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol?
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]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-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol is sourced from PubChem (CID 103780351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).