4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one

C12H16FNO — CID 107129738

IUPAC4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)N)cc1F
InChIInChI=1S/C12H16FNO/c1-8-3-5-10(7-11(8)13)12(15)6-4-9(2)14/h3,5,7,9H,4,6,14H2,1-2H3
InChIKeyKRPZXPOYXSSFMF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.44
Rot. Bonds4

About 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one

4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one (PubChem CID 107129738) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
PubChem CID107129738
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)N)cc1F
InChIInChI=1S/C12H16FNO/c1-8-3-5-10(7-11(8)13)12(15)6-4-9(2)14/h3,5,7,9H,4,6,14H2,1-2H3
InChIKeyKRPZXPOYXSSFMF-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(3-fluoro-4-methylphenyl)-4-methylpentan-1-one
CID 107129842
4-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-1-one
CID 107290977
4-amino-1-(4-chlorophenyl)pentan-1-one
CID 116571618
1-(3-fluoro-4-methylphenyl)pent-4-yn-1-one
CID 63656892
1-(3-fluoro-4-methylphenyl)decan-1-one
CID 55186019
4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
CID 116581624
2-(4-aminophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 107129670
4-amino-1-[4-[(2,5-dimethylphenyl)methoxy]phenyl]pentan-1-one
CID 83953119
2-(4-bromophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 60797592
ethyl 2-fluoro-3-(3-fluoro-4-methylphenyl)-3-oxopropanoate
CID 88642220
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one?
The IUPAC name of 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one (CID 107129738) is 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one.
What is the SMILES notation for 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one?
The canonical SMILES for 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one is Cc1ccc(C(=O)CCC(C)N)cc1F.
What is the InChIKey of 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one?
The InChIKey is KRPZXPOYXSSFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-8-3-5-10(7-11(8)13)12(15)6-4-9(2)14/h3,5,7,9H,4,6,14H2,1-2H3.
What are the key properties of 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one?
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one has a molecular weight of 209.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one is sourced from PubChem (CID 107129738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).