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

C12H16FNO2 — CID 116555997

IUPAC4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(CC(=O)CC(C)N)c1F
InChIInChI=1S/C12H16FNO2/c1-8(14)6-10(15)7-9-4-3-5-11(16-2)12(9)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyAYLQCWTULGITDV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.68
Rot. Bonds5

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

4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one (PubChem CID 116555997) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
PubChem CID116555997
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one
SMILESCOc1cccc(CC(=O)CC(C)N)c1F
InChIInChI=1S/C12H16FNO2/c1-8(14)6-10(15)7-9-4-3-5-11(16-2)12(9)13/h3-5,8H,6-7,14H2,1-2H3
InChIKeyAYLQCWTULGITDV-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-one
CID 116612356
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
5-amino-1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-2-one
CID 116571457
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
4-(2-fluoro-3-methoxyphenyl)-3-methylbutanoic acid
CID 104795667
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1-anilino-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 116555441
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The IUPAC name of 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one (CID 116555997) is 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The canonical SMILES for 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one is COc1cccc(CC(=O)CC(C)N)c1F.
What is the InChIKey of 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one?
The InChIKey is AYLQCWTULGITDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8(14)6-10(15)7-9-4-3-5-11(16-2)12(9)13/h3-5,8H,6-7,14H2,1-2H3.
What are the key properties of 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one?
4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one has a molecular weight of 225.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-3-methoxyphenyl)pentan-2-one is sourced from PubChem (CID 116555997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).