(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone

C18H21NO2 — CID 82266269

IUPAC(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone
SMILESCCOc1cc(C)c(C(=O)c2ccccc2N)c(C)c1C
InChIInChI=1S/C18H21NO2/c1-5-21-16-10-11(2)17(13(4)12(16)3)18(20)14-8-6-7-9-15(14)19/h6-10H,5,19H2,1-4H3
InChIKeySPMPMMBHEWMHJL-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.82
Rot. Bonds4

About (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone

(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone (PubChem CID 82266269) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone
PubChem CID82266269
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone
SMILESCCOc1cc(C)c(C(=O)c2ccccc2N)c(C)c1C
InChIInChI=1S/C18H21NO2/c1-5-21-16-10-11(2)17(13(4)12(16)3)18(20)14-8-6-7-9-15(14)19/h6-10H,5,19H2,1-4H3
InChIKeySPMPMMBHEWMHJL-UHFFFAOYSA-N
XLogP3.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.82
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'}

Analyze (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-amino-4-methyl-3-pyridinyl)-(2-ethoxyphenyl)methanone
CID 113330341
(3-amino-2-methylphenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104662561
(4-bromo-2,6-difluorophenyl)-(2-ethoxyphenyl)methanone
CID 114971145
2-ethoxyaniline;propan-2-one
CID 517004
ethyl 2-oxo-2-(2,3,6-trimethyl-4-propoxyphenyl)acetate
CID 82552592
2-amino-N-(2-ethoxy-4-methylphenyl)benzamide
CID 60933793
(2-amino-6-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81397099
(2-amino-6-ethoxyphenyl)-(4-fluoro-3,5-dimethylphenyl)methanone
CID 81397447
methyl 4-(4-ethoxy-2,3,6-trimethylphenyl)-4-oxobutanoate
CID 82552629
2-amino-N-[(3,4,5-triethoxyphenyl)carbamoyl]benzamide
CID 108869836
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone?
The IUPAC name of (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone (CID 82266269) is (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone.
What is the SMILES notation for (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone?
The canonical SMILES for (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone is CCOc1cc(C)c(C(=O)c2ccccc2N)c(C)c1C.
What is the InChIKey of (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone?
The InChIKey is SPMPMMBHEWMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-5-21-16-10-11(2)17(13(4)12(16)3)18(20)14-8-6-7-9-15(14)19/h6-10H,5,19H2,1-4H3.
What are the key properties of (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone?
(2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone has a molecular weight of 283.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(4-ethoxy-2,3,6-trimethylphenyl)methanone is sourced from PubChem (CID 82266269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).