4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol

C12H16FNO — CID 103948125

IUPAC4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1CC1CNCc1cc(F)ccc1O
InChIInChI=1S/C12H16FNO/c1-8-4-9(8)6-14-7-10-5-11(13)2-3-12(10)15/h2-3,5,8-9,14-15H,4,6-7H2,1H3
InChIKeyZIWBMXSUBXSYBN-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds4

About 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol

4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol (PubChem CID 103948125) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
PubChem CID103948125
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol
SMILESCC1CC1CNCc1cc(F)ccc1O
InChIInChI=1S/C12H16FNO/c1-8-4-9(8)6-14-7-10-5-11(13)2-3-12(10)15/h2-3,5,8-9,14-15H,4,6-7H2,1H3
InChIKeyZIWBMXSUBXSYBN-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-[(oxan-4-ylmethylamino)methyl]phenol
CID 103948383
2-[[(3,5-dimethylcyclohexyl)amino]methyl]-4-fluorophenol
CID 103948788
4-fluoro-2-[[2-(3-methylcyclohexyl)ethylamino]methyl]phenol
CID 107694453
N-[(4-chloro-2-fluorophenyl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 114842672
4-fluoro-2-[[(2-methylcyclopentyl)amino]methyl]phenol
CID 103948660
2-methoxy-4-[[(2-methylcyclopropyl)methylamino]methyl]phenol
CID 115978487
4-fluoro-2-[[2-(4-methylpiperidin-1-yl)ethylamino]methyl]phenol
CID 103948129
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
4-fluoro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 91811726
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The IUPAC name of 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol (CID 103948125) is 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The canonical SMILES for 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol is CC1CC1CNCc1cc(F)ccc1O.
What is the InChIKey of 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
The InChIKey is ZIWBMXSUBXSYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-4-9(8)6-14-7-10-5-11(13)2-3-12(10)15/h2-3,5,8-9,14-15H,4,6-7H2,1H3.
What are the key properties of 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol?
4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[(2-methylcyclopropyl)methylamino]methyl]phenol is sourced from PubChem (CID 103948125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).