(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone

C17H18ClNO3 — CID 67314649

IUPAC(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-9-13(22-8-7-21-2)4-6-14(11)17(20)15-5-3-12(19)10-16(15)18/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyDOFHRVDDPVPMIH-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.49
Rot. Bonds6

About (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone

(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone (PubChem CID 67314649) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
PubChem CID67314649
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
SMILESCOCCOc1ccc(C(=O)c2ccc(N)cc2Cl)c(C)c1
InChIInChI=1S/C17H18ClNO3/c1-11-9-13(22-8-7-21-2)4-6-14(11)17(20)15-5-3-12(19)10-16(15)18/h3-6,9-10H,7-8,19H2,1-2H3
InChIKeyDOFHRVDDPVPMIH-UHFFFAOYSA-N
XLogP3.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]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

(4-amino-2-chlorophenyl)-(4-methoxy-2,6-dimethylphenyl)methanone
CID 18358234
(4-amino-2-chlorophenyl)-(4-fluoro-2-methylphenyl)methanone
CID 18618724
5-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]-2-methylbenzamide;hydrochloride
CID 120622397
4-(2-methoxyethoxy)-2-methylbenzenecarboximidamide
CID 81276554
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
(4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
4-(3-chloropropoxy)-2-methylbenzamide
CID 68504171
ethyl 4-amino-2-(2-methoxyethoxy)benzoate
CID 106955360
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone (CID 67314649) is (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone is COCCOc1ccc(C(=O)c2ccc(N)cc2Cl)c(C)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone?
The InChIKey is DOFHRVDDPVPMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11-9-13(22-8-7-21-2)4-6-14(11)17(20)15-5-3-12(19)10-16(15)18/h3-6,9-10H,7-8,19H2,1-2H3.
What are the key properties of (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone?
(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone has a molecular weight of 319.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone is sourced from PubChem (CID 67314649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).