3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one

C11H14FNO2 — CID 116564462

IUPAC3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)CN)cc1F
InChIInChI=1S/C11H14FNO2/c1-7(6-13)11(14)8-3-4-10(15-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3
InChIKeyZJLZXMSOBAIFCQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one

3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one (PubChem CID 116564462) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
PubChem CID116564462
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
SMILESCOc1ccc(C(=O)C(C)CN)cc1F
InChIInChI=1S/C11H14FNO2/c1-7(6-13)11(14)8-3-4-10(15-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3
InChIKeyZJLZXMSOBAIFCQ-UHFFFAOYSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82048621
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1-(3-fluoro-4-methoxyphenyl)-2-hydroxy-3-(methylamino)propan-1-one
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5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
2-(3-fluoro-4-methoxybenzoyl)butanenitrile
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(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
3-fluoro-4-methoxybenzoate
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CID 116594998

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one (CID 116564462) is 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one is COc1ccc(C(=O)C(C)CN)cc1F.
What is the InChIKey of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one?
The InChIKey is ZJLZXMSOBAIFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-7(6-13)11(14)8-3-4-10(15-2)9(12)5-8/h3-5,7H,6,13H2,1-2H3.
What are the key properties of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one?
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one has a molecular weight of 211.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116564462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).