4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline

C16H18Cl2N2O — CID 145279951

IUPAC4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline
SMILESCNc1ccc(OC(C)(C)c2ncc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-10-7-12(19-4)5-6-14(10)21-16(2,3)15-13(18)8-11(17)9-20-15/h5-9,19H,1-4H3
InChIKeyVJMOYUYPUKGNAA-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.05
Rot. Bonds4

About 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline

4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline (PubChem CID 145279951) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline.

Molecular Properties

Compound Name4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline
PubChem CID145279951
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline
SMILESCNc1ccc(OC(C)(C)c2ncc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-10-7-12(19-4)5-6-14(10)21-16(2,3)15-13(18)8-11(17)9-20-15/h5-9,19H,1-4H3
InChIKeyVJMOYUYPUKGNAA-UHFFFAOYSA-N
XLogP5.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.24
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline 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

ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
2-(3,5-dichloro-2-pyridinyl)propan-2-amine
CID 130160714
4-(2,2-difluoroethoxy)-N,3-dimethylaniline
CID 157201816
4-[2-(3-chloro-6-methyl-2-pyridinyl)propan-2-yloxy]-N-methylaniline
CID 145279916
N,3-dimethyl-4-phenoxyaniline
CID 143188330
2-(4-tert-butyl-2-methylphenoxy)-5-chloro-3-fluoropyridine
CID 79727810
3-bromo-2-(4-tert-butyl-2-methylphenoxy)-5-chloropyridine
CID 114837638
3,5-dichloro-N-methylpyridin-2-amine;hydrochloride
CID 159350440
4-chloro-2-methyl-1-(2-methylbut-3-yn-2-yloxy)benzene
CID 126727889
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
2-(3,5-dichloro-2-pyridinyl)-2-hydroxypropanoic acid
CID 21288449
4-ethynyl-N,3-dimethylaniline
CID 138985683

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline?
The IUPAC name of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline (CID 145279951) is 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline.
What is the SMILES notation for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline?
The canonical SMILES for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline is CNc1ccc(OC(C)(C)c2ncc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline?
The InChIKey is VJMOYUYPUKGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-10-7-12(19-4)5-6-14(10)21-16(2,3)15-13(18)8-11(17)9-20-15/h5-9,19H,1-4H3.
What are the key properties of 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline?
4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline has a molecular weight of 325.24 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dichloro-2-pyridinyl)propan-2-yloxy]-N,3-dimethylaniline is sourced from PubChem (CID 145279951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).