2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline

C17H19Cl2N3 — CID 13059674

IUPAC2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3/c1-3-22(4-2)14-7-5-12(6-8-14)11-21-13-9-15(18)17(20)16(19)10-13/h5-11H,3-4,20H2,1-2H3/b21-11+
InChIKeyCMCLCGYKJQUMPS-SRZZPIQSSA-N
MW336.27 g/mol
LogP5.17
Rot. Bonds5

About 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline

2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline (PubChem CID 13059674) has the molecular formula C17H19Cl2N3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline
PubChem CID13059674
Molecular FormulaC17H19Cl2N3
Molecular Weight336.27 g/mol
Exact Mass335.10
IUPAC Name2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline
SMILESCCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1
InChIInChI=1S/C17H19Cl2N3/c1-3-22(4-2)14-7-5-12(6-8-14)11-21-13-9-15(18)17(20)16(19)10-13/h5-11H,3-4,20H2,1-2H3/b21-11+
InChIKeyCMCLCGYKJQUMPS-SRZZPIQSSA-N
XLogP5.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.27
LogP ≤ 55.17
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

2-[(4-amino-3,5-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 135675128
N,N-diethyl-4-[(3-ethylphenyl)iminomethyl]aniline
CID 23848316
4-[(5-chloro-2-methylphenyl)iminomethyl]-N,N-diethylaniline
CID 21210007
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
CID 1378244
2-[(3,4-dichlorophenyl)iminomethyl]-5-(diethylamino)phenol
CID 693567
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
N-[4-[4-[[4-(diethylamino)phenyl]methylideneamino]phenyl]sulfanylphenyl]hydroxylamine
CID 89343522
4-[2-[3,5-bis[2-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diethylaniline
CID 57028933
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
CID 78576663
N,N-diethyl-4-[[3-methyl-4-[[4-[[4-(oxiran-2-yl)phenyl]methylideneamino]phenyl]diazenyl]phenyl]diazenyl]aniline
CID 88919689
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The IUPAC name of 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline (CID 13059674) is 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline.
What is the SMILES notation for 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The canonical SMILES for 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline is CCN(CC)c1ccc(/C=N/c2cc(Cl)c(N)c(Cl)c2)cc1.
What is the InChIKey of 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The InChIKey is CMCLCGYKJQUMPS-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H19Cl2N3/c1-3-22(4-2)14-7-5-12(6-8-14)11-21-13-9-15(18)17(20)16(19)10-13/h5-11H,3-4,20H2,1-2H3/b21-11+.
What are the key properties of 2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline?
2,6-dichloro-4-[[4-(diethylamino)phenyl]methylideneamino]aniline has a molecular weight of 336.27 g/mol, XLogP of 5.17, 5 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-(diethylamino)phenyl]methylideneamino]aniline is sourced from PubChem (CID 13059674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).