1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone

C17H18FNO — CID 82685660

IUPAC1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C17H18FNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11H,9,19H2,1-2H3
InChIKeyDGTGBLQEIDWHIG-UHFFFAOYSA-N
MW271.33 g/mol
LogP3.96
Rot. Bonds4

About 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 82685660) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID82685660
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC Name1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)c2cc(F)ccc2N)cc1
InChIInChI=1S/C17H18FNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11H,9,19H2,1-2H3
InChIKeyDGTGBLQEIDWHIG-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 53.96
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

1-(4-fluoro-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 81274461
1-(2-amino-5-fluorophenyl)-2-(3-fluorophenyl)ethanone
CID 82685528
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 66660404
1-(2-amino-5-fluorophenyl)-2-(furan-3-yl)ethanone
CID 83173098
1-(2-chloro-3-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968326
1-(3-amino-4-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116552334
5-fluoro-2-[(4-propan-2-ylphenyl)methylsulfanyl]aniline
CID 43304284
1-(5-amino-2,4-difluorophenyl)-2-(4-fluorophenyl)ethanone
CID 152905588
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-5-fluorobenzamide
CID 81354408
1-(2-chloro-4-fluorophenyl)-2-(4-ethylphenyl)ethanone
CID 63410277
1-(2-amino-5-methylphenyl)-2-(4-bromophenyl)ethanone
CID 116581383

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 82685660) is 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)c2cc(F)ccc2N)cc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is DGTGBLQEIDWHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11H,9,19H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 271.33 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 82685660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).