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

C17H18FNO — CID 116598705

IUPAC2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
SMILESCc1cc(F)cc(C(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(10-14(18)9-11)16(20)17(2,3)13-4-6-15(19)7-5-13/h4-10H,19H2,1-3H3
InChIKeyUCYZZPYVMLZKJT-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.88
Rot. Bonds3

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

2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one (PubChem CID 116598705) has the molecular formula C17H18FNO and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
PubChem CID116598705
Molecular FormulaC17H18FNO
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one
SMILESCc1cc(F)cc(C(=O)C(C)(C)c2ccc(N)cc2)c1
InChIInChI=1S/C17H18FNO/c1-11-8-12(10-14(18)9-11)16(20)17(2,3)13-4-6-15(19)7-5-13/h4-10H,19H2,1-3H3
InChIKeyUCYZZPYVMLZKJT-UHFFFAOYSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one (CID 116598705) is 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one is Cc1cc(F)cc(C(=O)C(C)(C)c2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one?
The InChIKey is UCYZZPYVMLZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-8-12(10-14(18)9-11)16(20)17(2,3)13-4-6-15(19)7-5-13/h4-10H,19H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one has a molecular weight of 271.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116598705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).