2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride

C11H15ClFNO — CID 174290426

IUPAC2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(N)C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8;/h3-7,10H,13H2,1-2H3;1H
InChIKeyQALDYHYXTYZURV-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride

2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride (PubChem CID 174290426) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
PubChem CID174290426
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
SMILESCC(C)C(N)C(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H14FNO.ClH/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8;/h3-7,10H,13H2,1-2H3;1H
InChIKeyQALDYHYXTYZURV-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
2-amino-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-one
CID 82040171
2-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-one
CID 116549116
(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
2-amino-1-(4-fluorophenyl)-3-methoxypropan-1-one
CID 116594008
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
2-amino-1-(2,3-difluoro-4-methylphenyl)-3-methylbutan-1-one
CID 107514823
2-tert-butylsulfinyl-1-(4-fluorophenyl)propan-1-one
CID 64638472

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride (CID 174290426) is 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride is CC(C)C(N)C(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride?
The InChIKey is QALDYHYXTYZURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.ClH/c1-7(2)10(13)11(14)8-3-5-9(12)6-4-8;/h3-7,10H,13H2,1-2H3;1H.
What are the key properties of 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride?
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride has a molecular weight of 231.70 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride is sourced from PubChem (CID 174290426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).