4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol

C13H18FNO2 — CID 103948383

IUPAC4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCC1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-12-1-2-13(16)11(7-12)9-15-8-10-3-5-17-6-4-10/h1-2,7,10,15-16H,3-6,8-9H2
InChIKeyASZTXCNFCJCGBS-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.05
Rot. Bonds4

About 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol

4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol (PubChem CID 103948383) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
PubChem CID103948383
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
SMILESOc1ccc(F)cc1CNCC1CCOCC1
InChIInChI=1S/C13H18FNO2/c14-12-1-2-13(16)11(7-12)9-15-8-10-3-5-17-6-4-10/h1-2,7,10,15-16H,3-6,8-9H2
InChIKeyASZTXCNFCJCGBS-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.05
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

N-[(2,4-difluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920891
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 103948125
N-[(2-chloro-4-fluorophenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 61040054
N-[(4-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 62134262
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136
4-fluoro-2-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 103948092
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
4-fluoro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 91811726

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol?
The IUPAC name of 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol (CID 103948383) is 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol is Oc1ccc(F)cc1CNCC1CCOCC1.
What is the InChIKey of 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol?
The InChIKey is ASZTXCNFCJCGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c14-12-1-2-13(16)11(7-12)9-15-8-10-3-5-17-6-4-10/h1-2,7,10,15-16H,3-6,8-9H2.
What are the key properties of 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol?
4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol has a molecular weight of 239.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol is sourced from PubChem (CID 103948383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).