5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline

C16H17Cl2NO — CID 54798405

IUPAC5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCCOc1ccc(Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-11-3-4-14(18)10-15(11)19-7-8-20-16-6-5-13(17)9-12(16)2/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyFFIMPOAVXYSULV-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.10
Rot. Bonds5

About 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline

5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline (PubChem CID 54798405) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
PubChem CID54798405
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline
SMILESCc1ccc(Cl)cc1NCCOc1ccc(Cl)cc1C
InChIInChI=1S/C16H17Cl2NO/c1-11-3-4-14(18)10-15(11)19-7-8-20-16-6-5-13(17)9-12(16)2/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyFFIMPOAVXYSULV-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

5-chloro-2-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54798398
N-[2-(4-chloro-2-methylphenoxy)ethyl]propan-1-amine
CID 29015804
4-butoxy-N-[2-(4-chloro-2-methylphenoxy)ethyl]aniline
CID 54799222
N-[2-(2-butan-2-ylphenoxy)ethyl]-5-chloro-2-methylaniline
CID 54798469
2-(4-chloro-2-methylphenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62572163
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
CID 95455698
N-[2-(2,4-dichlorophenoxy)ethyl]-2,3-dimethylaniline
CID 54797951
4-chloro-2-methyl-N-[4-(2-methylphenoxy)butyl]aniline
CID 82095779
5-chloro-2-methyl-N-[3-(3-methylphenoxy)propyl]aniline
CID 82095969
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632
5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline?
The IUPAC name of 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline (CID 54798405) is 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline.
What is the SMILES notation for 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline?
The canonical SMILES for 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline is Cc1ccc(Cl)cc1NCCOc1ccc(Cl)cc1C.
What is the InChIKey of 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline?
The InChIKey is FFIMPOAVXYSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11-3-4-14(18)10-15(11)19-7-8-20-16-6-5-13(17)9-12(16)2/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline?
5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline 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 5-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 54798405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).