4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol

C14H15FN2O2 — CID 103948103

IUPAC4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ncccc1CNCc1cc(F)ccc1O
InChIInChI=1S/C14H15FN2O2/c1-19-14-10(3-2-6-17-14)8-16-9-11-7-12(15)4-5-13(11)18/h2-7,16,18H,8-9H2,1H3
InChIKeyLZQVPDYFZMWGMR-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.22
Rot. Bonds5

About 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol

4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol (PubChem CID 103948103) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
PubChem CID103948103
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ncccc1CNCc1cc(F)ccc1O
InChIInChI=1S/C14H15FN2O2/c1-19-14-10(3-2-6-17-14)8-16-9-11-7-12(15)4-5-13(11)18/h2-7,16,18H,8-9H2,1H3
InChIKeyLZQVPDYFZMWGMR-UHFFFAOYSA-N
XLogP2.22
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
1-(2,5-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60910476
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 102876282
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
CID 168947989
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
4-fluoro-3-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzoic acid
CID 107452324
1-(3,4-difluorophenyl)-2-[(2-methoxy-3-pyridinyl)methylamino]ethanol
CID 60908484
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
1-(3-chloro-4-methoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 65021941

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol (CID 103948103) is 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol is COc1ncccc1CNCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol?
The InChIKey is LZQVPDYFZMWGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-19-14-10(3-2-6-17-14)8-16-9-11-7-12(15)4-5-13(11)18/h2-7,16,18H,8-9H2,1H3.
What are the key properties of 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol?
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol has a molecular weight of 262.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 103948103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).