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

C15H15Cl2NO — CID 54796172

IUPACN-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
SMILESCc1cccc(NCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-11-3-2-4-13(9-11)18-7-8-19-15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3
InChIKeyYTFIXPNDJXUVNF-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.79
Rot. Bonds5

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

N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline (PubChem CID 54796172) has the molecular formula C15H15Cl2NO and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
PubChem CID54796172
Molecular FormulaC15H15Cl2NO
Molecular Weight296.20 g/mol
Exact Mass295.05
IUPAC NameN-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
SMILESCc1cccc(NCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO/c1-11-3-2-4-13(9-11)18-7-8-19-15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3
InChIKeyYTFIXPNDJXUVNF-UHFFFAOYSA-N
XLogP4.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.79
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-(4-bromo-2,5-dichlorophenoxy)ethyl]-3-methylaniline
CID 107661398
3-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]-4-methoxyaniline
CID 54798735
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
CID 63516051
N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
CID 54797951
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-methylaniline
CID 65125666
3-chloro-N-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55195520
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline (CID 54796172) is N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline is Cc1cccc(NCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline?
The InChIKey is YTFIXPNDJXUVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO/c1-11-3-2-4-13(9-11)18-7-8-19-15-6-5-12(16)10-14(15)17/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline?
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline has a molecular weight of 296.20 g/mol, XLogP of 4.79, 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]-3-methylaniline is sourced from PubChem (CID 54796172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).