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

C17H18FNO — CID 116612864

IUPAC3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H18FNO/c1-11(13-3-6-15(19)7-4-13)10-17(20)16-8-5-14(18)9-12(16)2/h3-9,11H,10,19H2,1-2H3
InChIKeyRJIMHYNDKZUKGM-UHFFFAOYSA-N
MW271.34 g/mol
LogP4.09
Rot. Bonds4

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

3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one (PubChem CID 116612864) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
PubChem CID116612864
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
SMILESCc1cc(F)ccc1C(=O)CC(C)c1ccc(N)cc1
InChIInChI=1S/C17H18FNO/c1-11(13-3-6-15(19)7-4-13)10-17(20)16-8-5-14(18)9-12(16)2/h3-9,11H,10,19H2,1-2H3
InChIKeyRJIMHYNDKZUKGM-UHFFFAOYSA-N
XLogP4.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 54.09
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

3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
CID 107515017
3-(4-aminophenyl)-1-(5-fluoro-2-methoxyphenyl)butan-1-one
CID 116612828
1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 116612692
3-(ethylamino)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116566877
1-(4-fluoro-2-methylphenyl)-2-propan-2-ylsulfanylethanone
CID 65134273
1-(4-fluoro-2-methylphenyl)butane-1,3-dione
CID 55262326
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
2-amino-1-(4-fluoro-2-methylphenyl)-3-methylbutan-1-one
CID 116549116
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
3-(4-aminophenyl)-1-(1,4-dimethylpyrazol-5-yl)butan-1-one
CID 112742466

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one (CID 116612864) is 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one is Cc1cc(F)ccc1C(=O)CC(C)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
The InChIKey is RJIMHYNDKZUKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11(13-3-6-15(19)7-4-13)10-17(20)16-8-5-14(18)9-12(16)2/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one?
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one has a molecular weight of 271.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one is sourced from PubChem (CID 116612864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).