5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline

C15H14Cl3NO — CID 43106131

IUPAC5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(12-7-10(16)3-5-13(12)18)19-14-8-11(17)4-6-15(14)20-2/h3-9,19H,1-2H3
InChIKeyRRAPRXONUZJNDR-UHFFFAOYSA-N
MW330.64 g/mol
LogP5.83
Rot. Bonds4

About 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline

5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline (PubChem CID 43106131) has the molecular formula C15H14Cl3NO and a molecular weight of 330.64 g/mol. Its IUPAC name is 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
PubChem CID43106131
Molecular FormulaC15H14Cl3NO
Molecular Weight330.64 g/mol
Exact Mass329.01
IUPAC Name5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NC(C)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NO/c1-9(12-7-10(16)3-5-13(12)18)19-14-8-11(17)4-6-15(14)20-2/h3-9,19H,1-2H3
InChIKeyRRAPRXONUZJNDR-UHFFFAOYSA-N
XLogP5.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.64
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43107869
2,5-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43102294
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43110360
5-[1-(5-chloro-2-methoxyanilino)ethyl]benzene-1,3-diol
CID 107704980
N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxypyridin-3-amine
CID 43721804
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
5-chloro-N-[1-(2-chlorophenyl)ethyl]-2-ethoxyaniline
CID 63451432
5-bromo-2-chloro-N-[1-(2,5-dichlorophenyl)ethyl]aniline
CID 63478769
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-5-fluoro-2-methylsulfonylaniline
CID 58707298
3-[1-(5-chloro-2-methoxyanilino)ethyl]phenol
CID 43193345
5-chloro-2-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43100580

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline?
The IUPAC name of 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline (CID 43106131) is 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline is COc1ccc(Cl)cc1NC(C)c1cc(Cl)ccc1Cl.
What is the InChIKey of 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline?
The InChIKey is RRAPRXONUZJNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NO/c1-9(12-7-10(16)3-5-13(12)18)19-14-8-11(17)4-6-15(14)20-2/h3-9,19H,1-2H3.
What are the key properties of 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline?
5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline has a molecular weight of 330.64 g/mol, XLogP of 5.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2,5-dichlorophenyl)ethyl]-2-methoxyaniline is sourced from PubChem (CID 43106131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).