1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one

C15H14FNO — CID 82117867

IUPAC1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
SMILESNc1cccc(C(=O)CCc2cccc(F)c2)c1
InChIInChI=1S/C15H14FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2
InChIKeyMGYZJTHLRQYJBV-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one

1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one (PubChem CID 82117867) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
PubChem CID82117867
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one
SMILESNc1cccc(C(=O)CCc2cccc(F)c2)c1
InChIInChI=1S/C15H14FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2
InChIKeyMGYZJTHLRQYJBV-UHFFFAOYSA-N
XLogP3.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.22
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-(3-chlorophenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726035
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
1-(3-aminophenyl)-3-bromopropan-1-one
CID 67069014
3-(3,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726448
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
1-(3-bromophenyl)-2-(3-fluorophenyl)ethanone
CID 24723944
3-(3-aminophenyl)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116603445
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(5-amino-2-chlorophenyl)-2-(3-fluorophenyl)ethanone
CID 147059181

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one?
The IUPAC name of 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one (CID 82117867) is 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one is Nc1cccc(C(=O)CCc2cccc(F)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one?
The InChIKey is MGYZJTHLRQYJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-13-5-1-3-11(9-13)7-8-15(18)12-4-2-6-14(17)10-12/h1-6,9-10H,7-8,17H2.
What are the key properties of 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one?
1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one has a molecular weight of 243.28 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 82117867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).