4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline

C15H16ClNO2 — CID 63676742

IUPAC4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(Cl)c(C)c2)ccc1N
InChIInChI=1S/C15H16ClNO2/c1-3-18-15-9-12(5-7-14(15)17)19-11-4-6-13(16)10(2)8-11/h4-9H,3,17H2,1-2H3
InChIKeyORLLXLJFRNDULZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.42
Rot. Bonds4

About 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline

4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline (PubChem CID 63676742) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
PubChem CID63676742
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
SMILESCCOc1cc(Oc2ccc(Cl)c(C)c2)ccc1N
InChIInChI=1S/C15H16ClNO2/c1-3-18-15-9-12(5-7-14(15)17)19-11-4-6-13(16)10(2)8-11/h4-9H,3,17H2,1-2H3
InChIKeyORLLXLJFRNDULZ-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
4-(2-chloro-4-fluorophenoxy)-2-ethoxyaniline
CID 63676750
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
3-(4-chloro-3-methylphenoxy)-5-propoxyaniline
CID 80749221
4-(4-chloro-3-ethylphenoxy)-2-propoxyaniline
CID 63677601
4-(4-chloro-3-methylphenoxy)-2,1,3-benzoxadiazol-7-amine
CID 43518735
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
CID 63676144

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline (CID 63676742) is 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline is CCOc1cc(Oc2ccc(Cl)c(C)c2)ccc1N.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline?
The InChIKey is ORLLXLJFRNDULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-18-15-9-12(5-7-14(15)17)19-11-4-6-13(16)10(2)8-11/h4-9H,3,17H2,1-2H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline?
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline has a molecular weight of 277.75 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline is sourced from PubChem (CID 63676742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).