1-[(4-fluorophenyl)methyl-methylamino]ethanol

C10H14FNO — CID 174281984

IUPAC1-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCC(O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyHIDIXPCWEIWPGE-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.60
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl-methylamino]ethanol

1-[(4-fluorophenyl)methyl-methylamino]ethanol (PubChem CID 174281984) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl-methylamino]ethanol
PubChem CID174281984
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[(4-fluorophenyl)methyl-methylamino]ethanol
SMILESCC(O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-6,8,13H,7H2,1-2H3
InChIKeyHIDIXPCWEIWPGE-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]ethanol?
The IUPAC name of 1-[(4-fluorophenyl)methyl-methylamino]ethanol (CID 174281984) is 1-[(4-fluorophenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl-methylamino]ethanol?
The canonical SMILES for 1-[(4-fluorophenyl)methyl-methylamino]ethanol is CC(O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl-methylamino]ethanol?
The InChIKey is HIDIXPCWEIWPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(13)12(2)7-9-3-5-10(11)6-4-9/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl-methylamino]ethanol?
1-[(4-fluorophenyl)methyl-methylamino]ethanol has a molecular weight of 183.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 174281984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).