4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine

C13H19Cl2NO — CID 2181369

IUPAC4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN(C)C
InChIInChI=1S/C13H19Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3/h8-9H,4-7H2,1-3H3
InChIKeyLMNMFISSQCMTDB-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.02
Rot. Bonds6

About 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine

4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine (PubChem CID 2181369) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine
PubChem CID2181369
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine
SMILESCc1cc(Cl)cc(Cl)c1OCCCCN(C)C
InChIInChI=1S/C13H19Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3/h8-9H,4-7H2,1-3H3
InChIKeyLMNMFISSQCMTDB-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine (CID 2181369) is 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine is Cc1cc(Cl)cc(Cl)c1OCCCCN(C)C.
What is the InChIKey of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is LMNMFISSQCMTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-5-4-6-16(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine?
4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichloro-6-methylphenoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 2181369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).