5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one

C13H18FNO — CID 116610017

IUPAC5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
SMILESCc1ccc(F)cc1C(=O)CCCC(C)N
InChIInChI=1S/C13H18FNO/c1-9-6-7-11(14)8-12(9)13(16)5-3-4-10(2)15/h6-8,10H,3-5,15H2,1-2H3
InChIKeySIUVLMJNTHNAIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.83
Rot. Bonds5

About 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one

5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one (PubChem CID 116610017) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
PubChem CID116610017
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one
SMILESCc1ccc(F)cc1C(=O)CCCC(C)N
InChIInChI=1S/C13H18FNO/c1-9-6-7-11(14)8-12(9)13(16)5-3-4-10(2)15/h6-8,10H,3-5,15H2,1-2H3
InChIKeySIUVLMJNTHNAIR-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenyl)-5-methylhexan-1-one
CID 83157845
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
4-amino-1-(2-methyl-5-propan-2-ylphenyl)pentan-1-one
CID 116916232
3-amino-1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-1-one
CID 116608359
3-butoxy-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 115002060
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
ethyl 2-(5-fluoro-2-methylbenzoyl)-3-methylbutanoate
CID 62388777
ethane;ethyl 5-fluoro-2-methylbenzoate
CID 143556291
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
5-(4-fluoro-2-methylphenyl)pentan-2-amine
CID 114349377
4-amino-1-(3-fluoro-4-methylphenyl)pentan-1-one
CID 107129738
1-(4-fluoro-2-methylphenyl)-4-(methylamino)butan-1-one
CID 116555760

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one?
The IUPAC name of 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one (CID 116610017) is 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one?
The canonical SMILES for 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one is Cc1ccc(F)cc1C(=O)CCCC(C)N.
What is the InChIKey of 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one?
The InChIKey is SIUVLMJNTHNAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-7-11(14)8-12(9)13(16)5-3-4-10(2)15/h6-8,10H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one?
5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one has a molecular weight of 223.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-fluoro-2-methylphenyl)hexan-1-one is sourced from PubChem (CID 116610017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).