1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol

C13H20FNO — CID 43506175

IUPAC1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(C)c1ccc(C(C)O)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(10(3)16)7-12(13)14/h5-7,9-10,16H,8H2,1-4H3
InChIKeyDOYFYGGQEZYCAR-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.97
Rot. Bonds4

About 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol

1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol (PubChem CID 43506175) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
PubChem CID43506175
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
SMILESCC(C)CN(C)c1ccc(C(C)O)cc1F
InChIInChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(10(3)16)7-12(13)14/h5-7,9-10,16H,8H2,1-4H3
InChIKeyDOYFYGGQEZYCAR-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol (CID 43506175) is 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol is CC(C)CN(C)c1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol?
The InChIKey is DOYFYGGQEZYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)8-15(4)13-6-5-11(10(3)16)7-12(13)14/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol?
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol has a molecular weight of 225.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol is sourced from PubChem (CID 43506175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).