1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol

C18H22Cl2N2O3 — CID 110171574

IUPAC1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H22Cl2N2O3/c1-24-14-5-7-15(8-6-14)25-12-13(23)11-21-9-10-22-18-16(19)3-2-4-17(18)20/h2-8,13,21-23H,9-12H2,1H3
InChIKeyZLBVKNHCQNIHAG-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.44
Rot. Bonds10

About 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol

1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol (PubChem CID 110171574) has the molecular formula C18H22Cl2N2O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
PubChem CID110171574
Molecular FormulaC18H22Cl2N2O3
Molecular Weight385.29 g/mol
Exact Mass384.10
IUPAC Name1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
SMILESCOc1ccc(OCC(O)CNCCNc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H22Cl2N2O3/c1-24-14-5-7-15(8-6-14)25-12-13(23)11-21-9-10-22-18-16(19)3-2-4-17(18)20/h2-8,13,21-23H,9-12H2,1H3
InChIKeyZLBVKNHCQNIHAG-UHFFFAOYSA-N
XLogP3.44
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol 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

1-[2-(2,6-dichloroanilino)ethylamino]-3-phenoxypropan-2-ol
CID 3054449
4-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]butan-2-ol
CID 64913738
N-[2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]methanesulfonamide
CID 60909902
1-(4-methoxyphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 559347
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
1-(2,6-dichlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581091
1-[3-(dimethylamino)propylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60635246
1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol (CID 110171574) is 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol is COc1ccc(OCC(O)CNCCNc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol?
The InChIKey is ZLBVKNHCQNIHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N2O3/c1-24-14-5-7-15(8-6-14)25-12-13(23)11-21-9-10-22-18-16(19)3-2-4-17(18)20/h2-8,13,21-23H,9-12H2,1H3.
What are the key properties of 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol?
1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol has a molecular weight of 385.29 g/mol, XLogP of 3.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichloroanilino)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 110171574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).