1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride

C10H15ClFNO — CID 155889707

IUPAC1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)C(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-10(2,13)9(12)7-3-5-8(11)6-4-7;/h3-6,9,13H,12H2,1-2H3;1H
InChIKeyQXLGUUPNDGVDQP-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.02
Rot. Bonds2

About 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride

1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride (PubChem CID 155889707) has the molecular formula C10H15ClFNO and a molecular weight of 219.69 g/mol. Its IUPAC name is 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride
PubChem CID155889707
Molecular FormulaC10H15ClFNO
Molecular Weight219.69 g/mol
Exact Mass219.08
IUPAC Name1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride
SMILESCC(C)(O)C(N)c1ccc(F)cc1.Cl
InChIInChI=1S/C10H14FNO.ClH/c1-10(2,13)9(12)7-3-5-8(11)6-4-7;/h3-6,9,13H,12H2,1-2H3;1H
InChIKeyQXLGUUPNDGVDQP-UHFFFAOYSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride?
The IUPAC name of 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride (CID 155889707) is 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride is CC(C)(O)C(N)c1ccc(F)cc1.Cl.
What is the InChIKey of 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride?
The InChIKey is QXLGUUPNDGVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO.ClH/c1-10(2,13)9(12)7-3-5-8(11)6-4-7;/h3-6,9,13H,12H2,1-2H3;1H.
What are the key properties of 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride?
1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-fluorophenyl)-2-methylpropan-2-ol;hydrochloride is sourced from PubChem (CID 155889707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).