5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline

C16H18ClNO2 — CID 39399760

IUPAC5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
SMILESCc1cccc(OCCOc2ccc(Cl)cc2N)c1C
InChIInChI=1S/C16H18ClNO2/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10H,8-9,18H2,1-2H3
InChIKeySSZVPMRBBFKAMJ-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.00
Rot. Bonds5

About 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline

5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline (PubChem CID 39399760) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
PubChem CID39399760
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
SMILESCc1cccc(OCCOc2ccc(Cl)cc2N)c1C
InChIInChI=1S/C16H18ClNO2/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10H,8-9,18H2,1-2H3
InChIKeySSZVPMRBBFKAMJ-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-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]benzoic acid
CID 20988227
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
3-[3-(2,5-dichlorophenoxy)propoxy]-2-methylaniline
CID 82097238
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
1-(2-chloroethoxy)-2,3-dimethylbenzene
CID 15086422
5-chloro-2-decoxyaniline
CID 55187694
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
3-chloro-N-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55195520
2-[2-(2,3-dimethylphenoxy)ethyl]aniline
CID 55079573

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline?
The IUPAC name of 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline (CID 39399760) is 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline.
What is the SMILES notation for 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline?
The canonical SMILES for 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline is Cc1cccc(OCCOc2ccc(Cl)cc2N)c1C.
What is the InChIKey of 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline?
The InChIKey is SSZVPMRBBFKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-3-5-15(12(11)2)19-8-9-20-16-7-6-13(17)10-14(16)18/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline?
5-chloro-2-[2-(2,3-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 5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39399760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).