2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline

C17H20ClNO2 — CID 39438979

IUPAC2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)c(C)c2)c(N)c1
InChIInChI=1S/C17H20ClNO2/c1-11-4-5-16(15(19)8-11)21-7-6-20-14-9-12(2)17(18)13(3)10-14/h4-5,8-10H,6-7,19H2,1-3H3
InChIKeyBGWYGFSSYFVHSY-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.31
Rot. Bonds5

About 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline

2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline (PubChem CID 39438979) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
PubChem CID39438979
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cc(C)c(Cl)c(C)c2)c(N)c1
InChIInChI=1S/C17H20ClNO2/c1-11-4-5-16(15(19)8-11)21-7-6-20-14-9-12(2)17(18)13(3)10-14/h4-5,8-10H,6-7,19H2,1-3H3
InChIKeyBGWYGFSSYFVHSY-UHFFFAOYSA-N
XLogP4.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.31
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-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
5-methyl-2-[2-(2,4,5-trimethylphenoxy)ethoxy]aniline
CID 39387000
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-4-methylbenzoic acid
CID 175656787
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline (CID 39438979) is 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2cc(C)c(Cl)c(C)c2)c(N)c1.
What is the InChIKey of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline?
The InChIKey is BGWYGFSSYFVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-11-4-5-16(15(19)8-11)21-7-6-20-14-9-12(2)17(18)13(3)10-14/h4-5,8-10H,6-7,19H2,1-3H3.
What are the key properties of 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline?
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline has a molecular weight of 305.81 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39438979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).