N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline

C17H19Cl2NO — CID 23963536

IUPACN-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
SMILESCc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-4-6-16(12(2)8-11)20-10-13(3)21-17-7-5-14(18)9-15(17)19/h4-9,13,20H,10H2,1-3H3
InChIKeyUYSAXTDUAFUKQR-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.49
Rot. Bonds5

About N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline

N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline (PubChem CID 23963536) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
PubChem CID23963536
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline
SMILESCc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-4-6-16(12(2)8-11)20-10-13(3)21-17-7-5-14(18)9-15(17)19/h4-9,13,20H,10H2,1-3H3
InChIKeyUYSAXTDUAFUKQR-UHFFFAOYSA-N
XLogP5.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-(2,5-dimethylphenoxy)propyl]-4-fluoroaniline
CID 46736235
N-[2-(2,4-dichlorophenoxy)propyl]-2-(2-phenoxyethoxy)aniline
CID 54801086
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
4-butoxy-N-[2-(2,4-dichlorophenoxy)propyl]aniline
CID 54799235
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
N-[2-(4-tert-butylphenoxy)propyl]-2,4-dichloroaniline
CID 54796195
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2,4-dimethylaniline
CID 126119796
N-[2-(2-chloro-4-methylphenoxy)propyl]butan-1-amine
CID 55104480
N-[2-(2,4-dichlorophenoxy)propyl]-4-(2-ethoxyethoxy)aniline
CID 54801144
N-[2-(2,4-dichlorophenoxy)propyl]-4-hexoxyaniline
CID 54798821
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline (CID 23963536) is N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline is Cc1ccc(NCC(C)Oc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline?
The InChIKey is UYSAXTDUAFUKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-4-6-16(12(2)8-11)20-10-13(3)21-17-7-5-14(18)9-15(17)19/h4-9,13,20H,10H2,1-3H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline?
N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline has a molecular weight of 324.25 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)propyl]-2,4-dimethylaniline is sourced from PubChem (CID 23963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).