2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline

C15H14Cl2FN3 — CID 13059678

IUPAC2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline
SMILESCN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H14Cl2FN3/c1-21(2)11-4-3-9(14(18)7-11)8-20-10-5-12(16)15(19)13(17)6-10/h3-8H,19H2,1-2H3/b20-8+
InChIKeyYPYIOZKWXXDUKL-DNTJNYDQSA-N
MW326.20 g/mol
LogP4.53
Rot. Bonds3

About 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline

2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline (PubChem CID 13059678) has the molecular formula C15H14Cl2FN3 and a molecular weight of 326.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline
PubChem CID13059678
Molecular FormulaC15H14Cl2FN3
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline
SMILESCN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H14Cl2FN3/c1-21(2)11-4-3-9(14(18)7-11)8-20-10-5-12(16)15(19)13(17)6-10/h3-8H,19H2,1-2H3/b20-8+
InChIKeyYPYIOZKWXXDUKL-DNTJNYDQSA-N
XLogP4.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.53
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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Related Compounds

Benzenamine, 3,5-dichloro-N-[(4-fluorophenyl)methylene]-
CID 690809
N'-[2,6-dichloro-4-[(3-fluorophenyl)methylamino]phenyl]-N,N-dimethylmethanimidamide
CID 13059656
N'-[2,6-dichloro-4-[[4-(diethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
CID 13059662
N'-[2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
CID 13059666
Alpha-(2,5-dichlorophenylimino)-N,N-dimethyl-P-toluidine
CID 292408
Alpha-(3-chlorophenylimino)-N,N-dimethyl-P-toluidine
CID 292663
4-Chloro-n-[4-(dimethylamino)benzylidene]aniline
CID 292414
N'-[2,6-dichloro-4-[[4-(dimethylamino)phenyl]methylamino]phenyl]-N,N-dimethylmethanimidamide
CID 13402063
Benzenamine, 4-[[(2-chlorophenyl)imino]methyl]-N,N-dimethyl-
CID 3656822
4-[(3-chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline
CID 24193638
2-Chloro-4-(dimethylamino)-benzaldehyde azine
CID 4183721
Alpha-(3-chloro-P-tolylimino)-N,N-dimethyl-P-toluidine
CID 4610548

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline (CID 13059678) is 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline is CN(C)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)c(F)c1.
What is the InChIKey of 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline?
The InChIKey is YPYIOZKWXXDUKL-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H14Cl2FN3/c1-21(2)11-4-3-9(14(18)7-11)8-20-10-5-12(16)15(19)13(17)6-10/h3-8H,19H2,1-2H3/b20-8+.
What are the key properties of 2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline?
2,6-dichloro-4-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline has a molecular weight of 326.20 g/mol, XLogP of 4.53, 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-[[4-(dimethylamino)-2-fluorophenyl]methylideneamino]aniline is sourced from PubChem (CID 13059678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).