4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine

C20H25Cl2NO — CID 20545010

IUPAC4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCOc1ccccc1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO/c1-23(2)13-5-6-14-24-20-8-4-3-7-17(20)10-9-16-11-12-18(21)15-19(16)22/h3-4,7-8,11-12,15H,5-6,9-10,13-14H2,1-2H3
InChIKeyPXVPMHDMZBOZMM-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.50
Rot. Bonds9

About 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine

4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine (PubChem CID 20545010) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
PubChem CID20545010
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC Name4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCOc1ccccc1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H25Cl2NO/c1-23(2)13-5-6-14-24-20-8-4-3-7-17(20)10-9-16-11-12-18(21)15-19(16)22/h3-4,7-8,11-12,15H,5-6,9-10,13-14H2,1-2H3
InChIKeyPXVPMHDMZBOZMM-UHFFFAOYSA-N
XLogP5.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-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

Related Compounds

4-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine
CID 3055328
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
N,N-dimethyl-4-[2-(2-phenylethyl)phenoxy]butan-1-amine
CID 3055351
2-[2-[2-(3-chlorophenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 11197455
3-[2-(2-aminoethyl)phenoxy]-N,N-dimethylpropan-1-amine
CID 22683982
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
2-[2-[[(2,4-dichlorophenyl)methylamino]methyl]phenoxy]ethanol
CID 111457819
3-[2-[2-(dimethylamino)ethoxy]phenyl]propan-1-amine
CID 170879208
1-[4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]butyl]piperidine-4-carboxylic acid
CID 20544929
methyl 4-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]benzoate
CID 20544947
3-[5-chloro-2-[(2-methylphenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866403

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine (CID 20545010) is 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine is CN(C)CCCCOc1ccccc1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine?
The InChIKey is PXVPMHDMZBOZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2NO/c1-23(2)13-5-6-14-24-20-8-4-3-7-17(20)10-9-16-11-12-18(21)15-19(16)22/h3-4,7-8,11-12,15H,5-6,9-10,13-14H2,1-2H3.
What are the key properties of 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine?
4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine has a molecular weight of 366.33 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,4-dichlorophenyl)ethyl]phenoxy]-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 20545010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).