5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline

C17H20ClNO2 — CID 39438987

IUPAC5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
SMILESCC(C)c1ccccc1OCCOc1ccc(Cl)cc1N
InChIInChI=1S/C17H20ClNO2/c1-12(2)14-5-3-4-6-16(14)20-9-10-21-17-8-7-13(18)11-15(17)19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyXJRDTSABXFQFFT-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.50
Rot. Bonds6

About 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline

5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline (PubChem CID 39438987) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
PubChem CID39438987
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
SMILESCC(C)c1ccccc1OCCOc1ccc(Cl)cc1N
InChIInChI=1S/C17H20ClNO2/c1-12(2)14-5-3-4-6-16(14)20-9-10-21-17-8-7-13(18)11-15(17)19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyXJRDTSABXFQFFT-UHFFFAOYSA-N
XLogP4.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.50
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-[5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]phenyl]ethanamine
CID 20989901
5-chloro-2-[2-(2,3-dimethylphenoxy)ethoxy]aniline
CID 39399760
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
2,5-dichloroaniline;2-ethoxyaniline
CID 19102396
5-chloro-2-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721632
5-chloro-2-decoxyaniline
CID 55187694
5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39438999
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
2-[2-[3-(2-propan-2-ylphenoxy)propoxy]ethoxy]ethanamine
CID 82353535

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline?
The IUPAC name of 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline (CID 39438987) is 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline.
What is the SMILES notation for 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline?
The canonical SMILES for 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline is CC(C)c1ccccc1OCCOc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline?
The InChIKey is XJRDTSABXFQFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(2)14-5-3-4-6-16(14)20-9-10-21-17-8-7-13(18)11-15(17)19/h3-8,11-12H,9-10,19H2,1-2H3.
What are the key properties of 5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline?
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline has a molecular weight of 305.81 g/mol, XLogP of 4.50, 6 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-propan-2-ylphenoxy)ethoxy]aniline is sourced from PubChem (CID 39438987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).