3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline

C17H20ClN3 — CID 78576663

IUPAC3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
SMILESCCN(CC)c1ccc(C=NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN3/c1-3-21(4-2)17-10-8-14(9-11-17)13-19-20-16-7-5-6-15(18)12-16/h5-13,20H,3-4H2,1-2H3
InChIKeyRDUASNXWPRDITF-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.63
Rot. Bonds6

About 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline

3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline (PubChem CID 78576663) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
PubChem CID78576663
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline
SMILESCCN(CC)c1ccc(C=NNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H20ClN3/c1-3-21(4-2)17-10-8-14(9-11-17)13-19-20-16-7-5-6-15(18)12-16/h5-13,20H,3-4H2,1-2H3
InChIKeyRDUASNXWPRDITF-UHFFFAOYSA-N
XLogP4.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diethylaniline
CID 110506082
2-[4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-N-methylanilino]ethanol
CID 7955607
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
N,N-diethyl-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]aniline
CID 164880427
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135730470
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
3-chloro-N-[(4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 110840362
2-N,3-N-bis[[4-(diethylamino)phenyl]methylideneamino]quinoxaline-2,3-diamine
CID 3339070
2-[[5-[(3-chloroanilino)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 6873359
2-[4-[[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-N,N-diethylacetamide
CID 110840203
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline (CID 78576663) is 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline is CCN(CC)c1ccc(C=NNc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline?
The InChIKey is RDUASNXWPRDITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-3-21(4-2)17-10-8-14(9-11-17)13-19-20-16-7-5-6-15(18)12-16/h5-13,20H,3-4H2,1-2H3.
What are the key properties of 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline?
3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline has a molecular weight of 301.82 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]aniline is sourced from PubChem (CID 78576663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).