2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline

C14H11Cl2FN2O — CID 13402056

IUPAC2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1F
InChIInChI=1S/C14H11Cl2FN2O/c1-20-13-3-2-8(4-12(13)17)7-19-9-5-10(15)14(18)11(16)6-9/h2-7H,18H2,1H3/b19-7+
InChIKeyXXLRMTDHCMCYKH-FBCYGCLPSA-N
MW313.16 g/mol
LogP4.47
Rot. Bonds3

About 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline

2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline (PubChem CID 13402056) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
PubChem CID13402056
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline
SMILESCOc1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1F
InChIInChI=1S/C14H11Cl2FN2O/c1-20-13-3-2-8(4-12(13)17)7-19-9-5-10(15)14(18)11(16)6-9/h2-7H,18H2,1H3/b19-7+
InChIKeyXXLRMTDHCMCYKH-FBCYGCLPSA-N
XLogP4.47
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline (CID 13402056) is 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline is COc1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1F.
What is the InChIKey of 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
The InChIKey is XXLRMTDHCMCYKH-FBCYGCLPSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c1-20-13-3-2-8(4-12(13)17)7-19-9-5-10(15)14(18)11(16)6-9/h2-7H,18H2,1H3/b19-7+.
What are the key properties of 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline?
2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline has a molecular weight of 313.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3-fluoro-4-methoxyphenyl)methylideneamino]aniline is sourced from PubChem (CID 13402056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).