4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one

C17H18FNO — CID 105376676

IUPAC4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
SMILESCc1ccc(F)cc1CC(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H18FNO/c1-12-5-7-15(18)10-14(12)11-17(20)8-6-13-3-2-4-16(19)9-13/h2-5,7,9-10H,6,8,11,19H2,1H3
InChIKeyMCVDFJGHKCFSJJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.46
Rot. Bonds5

About 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one

4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one (PubChem CID 105376676) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
PubChem CID105376676
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one
SMILESCc1ccc(F)cc1CC(=O)CCc1cccc(N)c1
InChIInChI=1S/C17H18FNO/c1-12-5-7-15(18)10-14(12)11-17(20)8-6-13-3-2-4-16(19)9-13/h2-5,7,9-10H,6,8,11,19H2,1H3
InChIKeyMCVDFJGHKCFSJJ-UHFFFAOYSA-N
XLogP3.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminophenyl)-1-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116603265
1-(5-fluoro-2-methylphenyl)-5-hydroxypentan-2-one
CID 106677668
4-(3-aminophenyl)-1-(4-iodophenyl)butan-2-one
CID 116603437
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
1-(5-fluoro-2-methylphenyl)-5-(methylamino)pentan-2-one
CID 105376531
4-(ethylamino)-1-(5-fluoro-2-methylphenyl)butan-2-one
CID 105376564
4-(3-aminophenyl)-1-pyridin-3-ylbutan-2-one
CID 116603391
(4-fluorophenyl)methyl 3-(3-aminophenyl)propanoate
CID 80701666
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)acetate
CID 114348583
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
CID 82117867
1-(2,6-dichlorophenyl)-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105373192

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The IUPAC name of 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one (CID 105376676) is 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The canonical SMILES for 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one is Cc1ccc(F)cc1CC(=O)CCc1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one?
The InChIKey is MCVDFJGHKCFSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-12-5-7-15(18)10-14(12)11-17(20)8-6-13-3-2-4-16(19)9-13/h2-5,7,9-10H,6,8,11,19H2,1H3.
What are the key properties of 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one?
4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one has a molecular weight of 271.33 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-1-(5-fluoro-2-methylphenyl)butan-2-one is sourced from PubChem (CID 105376676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).