(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

C17H18FNO2 — CID 81397447

IUPAC(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C17H18FNO2/c1-4-21-14-7-5-6-13(19)15(14)17(20)12-8-10(2)16(18)11(3)9-12/h5-9H,4,19H2,1-3H3
InChIKeyDNHVWNYJYBRLHL-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.65
Rot. Bonds4

About (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone

(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (PubChem CID 81397447) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
PubChem CID81397447
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
SMILESCCOc1cccc(N)c1C(=O)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C17H18FNO2/c1-4-21-14-7-5-6-13(19)15(14)17(20)12-8-10(2)16(18)11(3)9-12/h5-9H,4,19H2,1-3H3
InChIKeyDNHVWNYJYBRLHL-UHFFFAOYSA-N
XLogP3.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-6-ethoxyphenyl)-(2,4-difluorophenyl)methanone
CID 81413663
2-amino-6-ethoxy-N-(4-fluoro-3-methylphenyl)benzamide
CID 81394860
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
ethyl 3-ethoxy-4-fluoro-5-methylbenzoate
CID 164893368
2-amino-N-(3,4-dimethylphenyl)-6-ethoxybenzamide
CID 81394623
2-amino-6-ethoxy-N-(3-fluoro-2-methylphenyl)benzamide
CID 81396147
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(3-amino-2-chlorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 112580805
2-amino-6-ethoxy-N-(3-ethylpentan-3-yl)benzamide
CID 81420265
2-amino-N-(4,6-dimethylpyrimidin-2-yl)-6-ethoxybenzamide
CID 81394291
ethyl 2-(3-amino-2-fluorophenoxy)acetate
CID 141351730
2-amino-N-(5-bromo-2-fluorophenyl)-6-ethoxybenzamide
CID 81395946

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone (CID 81397447) is (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is CCOc1cccc(N)c1C(=O)c1cc(C)c(F)c(C)c1.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
The InChIKey is DNHVWNYJYBRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-4-21-14-7-5-6-13(19)15(14)17(20)12-8-10(2)16(18)11(3)9-12/h5-9H,4,19H2,1-3H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone?
(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone has a molecular weight of 287.33 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 81397447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).