(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone

C15H12F3NO2 — CID 116554006

IUPAC(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1N
InChIInChI=1S/C15H12F3NO2/c1-9-7-11(5-6-13(9)19)14(20)10-3-2-4-12(8-10)21-15(16,17)18/h2-8H,19H2,1H3
InChIKeyVHWMXOASFHONGQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.71
Rot. Bonds3

About (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone

(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 116554006) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID116554006
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1N
InChIInChI=1S/C15H12F3NO2/c1-9-7-11(5-6-13(9)19)14(20)10-3-2-4-12(8-10)21-15(16,17)18/h2-8H,19H2,1H3
InChIKeyVHWMXOASFHONGQ-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 116554006) is (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is Cc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is VHWMXOASFHONGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-9-7-11(5-6-13(9)19)14(20)10-3-2-4-12(8-10)21-15(16,17)18/h2-8H,19H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 295.26 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116554006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).