2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline

C16H18ClNO2 — CID 39399797

IUPAC2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
SMILESCc1cccc(C)c1OCCOc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-3-5-12(2)16(11)20-9-8-19-13-6-7-14(17)15(18)10-13/h3-7,10H,8-9,18H2,1-2H3
InChIKeyUQCGNGYMAQFFSE-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.00
Rot. Bonds5

About 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline

2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline (PubChem CID 39399797) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
PubChem CID39399797
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
SMILESCc1cccc(C)c1OCCOc1ccc(Cl)c(N)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-3-5-12(2)16(11)20-9-8-19-13-6-7-14(17)15(18)10-13/h3-7,10H,8-9,18H2,1-2H3
InChIKeyUQCGNGYMAQFFSE-UHFFFAOYSA-N
XLogP4.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39439031
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline
CID 39381707
5-[2-(2,6-dimethoxyphenoxy)ethoxy]-2-methylaniline
CID 39427302
3-[2-(2,6-dimethylphenoxy)ethoxy]phenol
CID 39359626
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
CID 39452146
2-methyl-5-[3-(2,3,6-trimethylphenoxy)propoxy]aniline
CID 82097182
1,3-dimethyl-2-propoxybenzene
CID 579040
[3-[3-(2,6-dimethylphenoxy)propoxy]phenyl]methanamine
CID 43254018
4-chloro-3-[(2,6-dimethylphenoxy)methyl]aniline
CID 43350124
2-(2-methoxyethoxy)-3-methylaniline
CID 115550862

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline?
The IUPAC name of 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline (CID 39399797) is 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline.
What is the SMILES notation for 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline?
The canonical SMILES for 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline is Cc1cccc(C)c1OCCOc1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline?
The InChIKey is UQCGNGYMAQFFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-3-5-12(2)16(11)20-9-8-19-13-6-7-14(17)15(18)10-13/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline?
2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline has a molecular weight of 291.78 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39399797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).