(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone

C19H23NO2 — CID 82266056

IUPAC(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCCOc1cc(C)c(C(=O)c2cccc(N)c2)cc1C(C)C
InChIInChI=1S/C19H23NO2/c1-5-22-18-9-13(4)17(11-16(18)12(2)3)19(21)14-7-6-8-15(20)10-14/h6-12H,5,20H2,1-4H3
InChIKeyCMDALRNQUQKSOP-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.33
Rot. Bonds5

About (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone

(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone (PubChem CID 82266056) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
PubChem CID82266056
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
SMILESCCOc1cc(C)c(C(=O)c2cccc(N)c2)cc1C(C)C
InChIInChI=1S/C19H23NO2/c1-5-22-18-9-13(4)17(11-16(18)12(2)3)19(21)14-7-6-8-15(20)10-14/h6-12H,5,20H2,1-4H3
InChIKeyCMDALRNQUQKSOP-UHFFFAOYSA-N
XLogP4.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)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

(3-aminophenyl)-(4-ethoxynaphthalen-1-yl)methanone
CID 82263187
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(3-aminophenyl)-(3,5-dimethyl-2-propoxyphenyl)methanone
CID 82267577
methyl 4-[2-methyl-4-(2-methylpropoxy)-5-propan-2-ylbenzoyl]benzoate
CID 154656104
(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
CID 82265361
(4-amino-2-ethoxyphenyl)-phenylmethanone
CID 23323350
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
(3-aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone
CID 116917269
(3-aminophenyl)-(2-ethyl-4-propan-2-yloxyphenyl)methanone
CID 82267425
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The IUPAC name of (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone (CID 82266056) is (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone is CCOc1cc(C)c(C(=O)c2cccc(N)c2)cc1C(C)C.
What is the InChIKey of (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone?
The InChIKey is CMDALRNQUQKSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-5-22-18-9-13(4)17(11-16(18)12(2)3)19(21)14-7-6-8-15(20)10-14/h6-12H,5,20H2,1-4H3.
What are the key properties of (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone?
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone has a molecular weight of 297.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 82266056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).