2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline

C16H19ClN2O2 — CID 42643574

IUPAC2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)cc2N)c(N)c1
InChIInChI=1S/C16H19ClN2O2/c1-10-3-4-15(13(18)7-10)20-5-6-21-16-8-11(2)12(17)9-14(16)19/h3-4,7-9H,5-6,18-19H2,1-2H3
InChIKeyREYQXNOVFWGJQH-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline

2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline (PubChem CID 42643574) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline.

Molecular Properties

Compound Name2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
PubChem CID42643574
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)cc2N)c(N)c1
InChIInChI=1S/C16H19ClN2O2/c1-10-3-4-15(13(18)7-10)20-5-6-21-16-8-11(2)12(17)9-14(16)19/h3-4,7-9H,5-6,18-19H2,1-2H3
InChIKeyREYQXNOVFWGJQH-UHFFFAOYSA-N
XLogP3.58
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
5-chloro-4-methyl-2-(2-methylpropoxy)aniline
CID 82265214
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline?
The IUPAC name of 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline (CID 42643574) is 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline.
What is the SMILES notation for 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline?
The canonical SMILES for 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline is Cc1ccc(OCCOc2cc(C)c(Cl)cc2N)c(N)c1.
What is the InChIKey of 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline?
The InChIKey is REYQXNOVFWGJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-3-4-15(13(18)7-10)20-5-6-21-16-8-11(2)12(17)9-14(16)19/h3-4,7-9H,5-6,18-19H2,1-2H3.
What are the key properties of 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline?
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline has a molecular weight of 306.79 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline is sourced from PubChem (CID 42643574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).