2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline

C16H18ClNO2 — CID 39399728

IUPAC2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cc(C)ccc2Cl)c(N)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-6-15(14(18)9-11)19-7-8-20-16-10-12(2)3-5-13(16)17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyUEAGNRGVCWCBRC-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.00
Rot. Bonds5

About 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline

2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline (PubChem CID 39399728) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
PubChem CID39399728
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cc(C)ccc2Cl)c(N)c1
InChIInChI=1S/C16H18ClNO2/c1-11-4-6-15(14(18)9-11)19-7-8-20-16-10-12(2)3-5-13(16)17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyUEAGNRGVCWCBRC-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-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
1-chloro-2-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-methylbenzene
CID 2899624
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline (CID 39399728) is 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2cc(C)ccc2Cl)c(N)c1.
What is the InChIKey of 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline?
The InChIKey is UEAGNRGVCWCBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-4-6-15(14(18)9-11)19-7-8-20-16-10-12(2)3-5-13(16)17/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline?
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline 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-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39399728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).