N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline

C16H17Cl2NO — CID 54797951

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
SMILESCc1cccc(NCCOc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H17Cl2NO/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyDTACIEUBYFQWRW-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.10
Rot. Bonds5

About N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline

N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline (PubChem CID 54797951) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
PubChem CID54797951
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
SMILESCc1cccc(NCCOc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H17Cl2NO/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10,19H,8-9H2,1-2H3
InChIKeyDTACIEUBYFQWRW-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172
N-[2-(2,4-dichlorophenoxy)ethyl]-2-(2-ethoxyethoxy)aniline
CID 54801778
5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
CID 54798405
3-chloro-N-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55195520
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108
2,3-dimethyl-N-[2-(3-methylphenoxy)ethyl]aniline
CID 54797849
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
N-[2-(3-chlorophenoxy)ethyl]-2-methylaniline
CID 62572300
3-chloro-N-[2-(2,4-ditert-butylphenoxy)ethyl]-2-methylaniline
CID 54797157
N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dimethylaniline
CID 54797775

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline (CID 54797951) is N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline is Cc1cccc(NCCOc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline?
The InChIKey is DTACIEUBYFQWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10,19H,8-9H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline?
N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline has a molecular weight of 310.22 g/mol, XLogP of 5.10, 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)ethyl]-2,3-dimethylaniline is sourced from PubChem (CID 54797951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).