1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone

C15H14ClNO2 — CID 104613311

IUPAC1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccc(C)cc2Cl)ccc1N
InChIInChI=1S/C15H14ClNO2/c1-9-3-6-15(13(16)7-9)19-11-4-5-14(17)12(8-11)10(2)18/h3-8H,17H2,1-2H3
InChIKeyHHYZUCNERWZFRP-UHFFFAOYSA-N
MW275.74 g/mol
LogP4.23
Rot. Bonds3

About 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone

1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone (PubChem CID 104613311) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
PubChem CID104613311
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone
SMILESCC(=O)c1cc(Oc2ccc(C)cc2Cl)ccc1N
InChIInChI=1S/C15H14ClNO2/c1-9-3-6-15(13(16)7-9)19-11-4-5-14(17)12(8-11)10(2)18/h3-8H,17H2,1-2H3
InChIKeyHHYZUCNERWZFRP-UHFFFAOYSA-N
XLogP4.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 54.23
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-amino-4-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 104529281
4-(2-chloro-4-methylphenoxy)-2-propan-2-yloxyaniline
CID 83002698
1-[2-amino-5-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanone
CID 104613352
2-bromo-4-(2-chloro-4-methylphenoxy)benzoic acid
CID 107282511
1-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]ethanone
CID 82971828
ethyl 2-amino-5-(2-chloro-4-fluorophenoxy)benzoate
CID 63423263
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
1-[5-(2,4-dimethylphenoxy)-2-methylphenyl]ethanone
CID 59067571
1-[2-amino-5-(2,5-dibromo-4-methoxyphenoxy)phenyl]ethanone
CID 104613341
1-[2-amino-5-(2-fluorophenoxy)phenyl]ethanone
CID 113433083
2-bromo-4-(2-chloro-4-methylphenoxy)benzenecarbothioamide
CID 107278376
5-(2-chloro-4-methylphenoxy)-2-nitrobenzoic acid
CID 18336652

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone (CID 104613311) is 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone is CC(=O)c1cc(Oc2ccc(C)cc2Cl)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone?
The InChIKey is HHYZUCNERWZFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-9-3-6-15(13(16)7-9)19-11-4-5-14(17)12(8-11)10(2)18/h3-8H,17H2,1-2H3.
What are the key properties of 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone?
1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone has a molecular weight of 275.74 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2-chloro-4-methylphenoxy)phenyl]ethanone is sourced from PubChem (CID 104613311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).