[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate

C15H15Cl2NO3P- — CID 149046188

IUPAC[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate
SMILESCCOP(=O)([O-])c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H16Cl2NO3P/c1-3-21-22(19,20)13-7-5-4-6-12(13)18-15-11(16)9-8-10(2)14(15)17/h4-9,18H,3H2,1-2H3,(H,19,20)/p-1
InChIKeyQIQLWNIOOFOAMS-UHFFFAOYSA-M
MW359.17 g/mol
LogP4.26
Rot. Bonds5

About [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate

[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate (PubChem CID 149046188) has the molecular formula C15H15Cl2NO3P- and a molecular weight of 359.17 g/mol. Its IUPAC name is [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate.

Molecular Properties

Compound Name[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate
PubChem CID149046188
Molecular FormulaC15H15Cl2NO3P-
Molecular Weight359.17 g/mol
Exact Mass358.02
IUPAC Name[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate
SMILESCCOP(=O)([O-])c1ccccc1Nc1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C15H16Cl2NO3P/c1-3-21-22(19,20)13-7-5-4-6-12(13)18-15-11(16)9-8-10(2)14(15)17/h4-9,18H,3H2,1-2H3,(H,19,20)/p-1
InChIKeyQIQLWNIOOFOAMS-UHFFFAOYSA-M
XLogP4.26
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dichloro-3-methylanilino)benzenethiol
CID 137454964
2-(2,6-dichloro-3-methylanilino)-N-(hydroxymethyl)benzamide
CID 57034426
[2-(2,6-dichloro-3-methylanilino)phenyl]methanol
CID 15027375
azane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70150385
2-[2-(2,6-dichloro-3-methylanilino)benzoyl]oxyacetic acid
CID 19842359
6-(2,6-dichloro-3-methylanilino)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 164516784
butane;ethoxymethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 70500245
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;hydrate
CID 23663959
sodium;2-(2,6-dichloro-3-methylanilino)benzoate;dihydrate
CID 23702523
N-[1-[2-(2,6-dichloro-3-methylanilino)phenyl]ethylidene]hydroxylamine
CID 86744462
3-chloro-2-diethoxyphosphoryl-8-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 2142756
acetic acid;2-(diethylamino)ethyl 2-(2,6-dichloro-3-methylanilino)benzoate
CID 24752851

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate?
The IUPAC name of [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate (CID 149046188) is [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate.
What is the SMILES notation for [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate?
The canonical SMILES for [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate is CCOP(=O)([O-])c1ccccc1Nc1c(Cl)ccc(C)c1Cl.
What is the InChIKey of [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate?
The InChIKey is QIQLWNIOOFOAMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16Cl2NO3P/c1-3-21-22(19,20)13-7-5-4-6-12(13)18-15-11(16)9-8-10(2)14(15)17/h4-9,18H,3H2,1-2H3,(H,19,20)/p-1.
What are the key properties of [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate?
[2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate has a molecular weight of 359.17 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloro-3-methylanilino)phenyl]-ethoxyphosphinate is sourced from PubChem (CID 149046188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).