1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone

C15H13Cl2NO2 — CID 116541044

IUPAC1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3
InChIKeyZBBQTSODYHFTJL-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.36
Rot. Bonds4

About 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone

1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone (PubChem CID 116541044) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
PubChem CID116541044
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cc(N)ccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3
InChIKeyZBBQTSODYHFTJL-UHFFFAOYSA-N
XLogP4.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.36
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

5-amino-2-[(2,6-dichlorophenyl)methoxy]benzoic acid
CID 43379989
1-[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]ethanone
CID 78906393
methyl 5-amino-2-[(2-chloro-6-fluorophenyl)methoxy]benzoate
CID 106955704
1-[5-amino-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]ethanone
CID 103046263
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-[5-amino-2-(1-benzothiophen-3-ylmethoxy)phenyl]ethanone
CID 116541051
1-[5-amino-2-(2-phenoxyethoxy)phenyl]ethanone
CID 116541088
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
2-[(2,6-dichlorophenyl)methoxy]-5-fluorobenzoic acid
CID 115298074
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone (CID 116541044) is 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone is CC(=O)c1cc(N)ccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone?
The InChIKey is ZBBQTSODYHFTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(19)11-7-10(18)5-6-15(11)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3.
What are the key properties of 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone?
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone has a molecular weight of 310.18 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone is sourced from PubChem (CID 116541044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).