5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one

C13H18FNO — CID 116613443

IUPAC5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one
SMILESCc1cc(F)cc(C(=O)C(C)CCCN)c1
InChIInChI=1S/C13H18FNO/c1-9-6-11(8-12(14)7-9)13(16)10(2)4-3-5-15/h6-8,10H,3-5,15H2,1-2H3
InChIKeyPLFMXRFRVAEBHP-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.69
Rot. Bonds5

About 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one

5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one (PubChem CID 116613443) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one
PubChem CID116613443
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one
SMILESCc1cc(F)cc(C(=O)C(C)CCCN)c1
InChIInChI=1S/C13H18FNO/c1-9-6-11(8-12(14)7-9)13(16)10(2)4-3-5-15/h6-8,10H,3-5,15H2,1-2H3
InChIKeyPLFMXRFRVAEBHP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-1-(5-fluoro-3-pyridinyl)-2-methylpentan-1-one
CID 116613600
1-(3-fluoro-5-methylphenyl)-2-methoxypropan-1-one
CID 79705089
ethyl 4-(3,5-difluorophenyl)-3-methyl-4-oxobutanoate
CID 170345680
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
5-amino-2-methyl-N-(2,4,5-trifluorophenyl)pentanamide
CID 104685005
2-[(5-amino-2-methylpentanoyl)amino]-5-fluorobenzoic acid
CID 112547816
5-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 104684492
6-amino-1-(2-bromo-5-fluorophenyl)-3-methylhexan-2-one
CID 116613456
6-amino-1-(3,4-difluorophenyl)-2-methylheptan-1-one
CID 116574127
N-(1-aminopropan-2-yl)-3-fluoro-N,5-dimethylbenzamide;hydrochloride
CID 86780016
5-amino-1-(4-methoxyphenyl)-2-methylpentan-1-one
CID 116613517

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one (CID 116613443) is 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one is Cc1cc(F)cc(C(=O)C(C)CCCN)c1.
What is the InChIKey of 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one?
The InChIKey is PLFMXRFRVAEBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-11(8-12(14)7-9)13(16)10(2)4-3-5-15/h6-8,10H,3-5,15H2,1-2H3.
What are the key properties of 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one?
5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one has a molecular weight of 223.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-fluoro-5-methylphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 116613443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).