(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone

C18H21NO2 — CID 107469289

IUPAC(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCOc1cccc(C(=O)c2cccc(CC(C)C)c2)c1N
InChIInChI=1S/C18H21NO2/c1-12(2)10-13-6-4-7-14(11-13)18(20)15-8-5-9-16(21-3)17(15)19/h4-9,11-12H,10,19H2,1-3H3
InChIKeyHFPXBOYQBFXUAT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.71
Rot. Bonds5

About (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone

(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone (PubChem CID 107469289) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
PubChem CID107469289
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone
SMILESCOc1cccc(C(=O)c2cccc(CC(C)C)c2)c1N
InChIInChI=1S/C18H21NO2/c1-12(2)10-13-6-4-7-14(11-13)18(20)15-8-5-9-16(21-3)17(15)19/h4-9,11-12H,10,19H2,1-3H3
InChIKeyHFPXBOYQBFXUAT-UHFFFAOYSA-N
XLogP3.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.71
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-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]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-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-(2-methoxyphenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543131
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
3-(2-methylpropyl)benzamide
CID 23130390
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 115812361
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone (CID 107469289) is (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone is COc1cccc(C(=O)c2cccc(CC(C)C)c2)c1N.
What is the InChIKey of (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone?
The InChIKey is HFPXBOYQBFXUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(2)10-13-6-4-7-14(11-13)18(20)15-8-5-9-16(21-3)17(15)19/h4-9,11-12H,10,19H2,1-3H3.
What are the key properties of (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone?
(2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone has a molecular weight of 283.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 107469289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).