4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline

C15H16ClNO2 — CID 63676329

IUPAC4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
SMILESCCOc1cc(OCc2ccccc2Cl)ccc1N
InChIInChI=1S/C15H16ClNO2/c1-2-18-15-9-12(7-8-14(15)17)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10,17H2,1H3
InChIKeyFQMYKVUCYLZURY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.90
Rot. Bonds5

About 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline

4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline (PubChem CID 63676329) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
PubChem CID63676329
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
SMILESCCOc1cc(OCc2ccccc2Cl)ccc1N
InChIInChI=1S/C15H16ClNO2/c1-2-18-15-9-12(7-8-14(15)17)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10,17H2,1H3
InChIKeyFQMYKVUCYLZURY-UHFFFAOYSA-N
XLogP3.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.90
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

1,2,4-tris[(2-chlorophenyl)methoxy]benzene
CID 139941968
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
2-ethoxy-4-propoxyaniline
CID 63677806
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
[4-[(2-chlorophenyl)methoxy]phenyl]methyl-ethylazanium
CID 7986318
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
2-[2-(4-amino-3-ethoxyphenoxy)phenyl]ethanol
CID 107712098
2-(4-amino-3-ethoxyphenoxy)ethanol
CID 21422991

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline (CID 63676329) is 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline is CCOc1cc(OCc2ccccc2Cl)ccc1N.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline?
The InChIKey is FQMYKVUCYLZURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-2-18-15-9-12(7-8-14(15)17)19-10-11-5-3-4-6-13(11)16/h3-9H,2,10,17H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline?
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline has a molecular weight of 277.75 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline is sourced from PubChem (CID 63676329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).