3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine

C17H19Cl2NO — CID 170865611

IUPAC3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-20(2)11-3-4-13-5-8-15(9-6-13)21-17-10-7-14(18)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIQCBAOXVSNPQAX-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.28
Rot. Bonds6

About 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine

3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170865611) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170865611
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H19Cl2NO/c1-20(2)11-3-4-13-5-8-15(9-6-13)21-17-10-7-14(18)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIQCBAOXVSNPQAX-UHFFFAOYSA-N
XLogP5.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine
CID 70586512
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
3-(2,4-dichlorophenyl)-N,N-dimethylpropan-1-amine
CID 69275794
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
[4-(2,4-dichlorophenoxy)phenyl] propanoate
CID 67553768
3-[4-(2,4-dichlorophenoxy)phenoxy]-N,N-diethylpropanamide
CID 57098621
2-(4-butylphenoxy)-4-chloroaniline
CID 115492256

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine (CID 170865611) is 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is IQCBAOXVSNPQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-20(2)11-3-4-13-5-8-15(9-6-13)21-17-10-7-14(18)12-16(17)19/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorophenoxy)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).