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

C13H18FNO2 — CID 116557002

IUPAC2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-7-13(2,15)12(16)9-5-6-11(17-3)10(14)8-9/h5-6,8H,4,7,15H2,1-3H3
InChIKeyZPAAGUZXOOYMQE-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.53
Rot. Bonds5

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

2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one (PubChem CID 116557002) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
PubChem CID116557002
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
SMILESCCCC(C)(N)C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-4-7-13(2,15)12(16)9-5-6-11(17-3)10(14)8-9/h5-6,8H,4,7,15H2,1-3H3
InChIKeyZPAAGUZXOOYMQE-UHFFFAOYSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 116603784
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
CID 119774865
2-amino-1-(3,4-difluorophenyl)-2-methylbutan-1-one
CID 116590230
4-amino-1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116916448
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
CID 119778135
2-amino-N-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-2-methylpentanamide
CID 119751481
N-(2-amino-2-methylpropyl)-4-(3-fluoro-4-methoxyphenyl)-4-oxobutanamide
CID 119626874
1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599169
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-fluoro-4-methoxybenzamide
CID 62919550
3-fluoro-4-methoxy-N,N-dipropylbenzamide
CID 86906434
4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)butane-1,3-dione
CID 15484969

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one?
The IUPAC name of 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one (CID 116557002) is 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one is CCCC(C)(N)C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one?
The InChIKey is ZPAAGUZXOOYMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-7-13(2,15)12(16)9-5-6-11(17-3)10(14)8-9/h5-6,8H,4,7,15H2,1-3H3.
What are the key properties of 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one?
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one has a molecular weight of 239.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 116557002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).