4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline

C16H16ClN3 — CID 144621773

IUPAC4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline
SMILESC=Nc1ccccc1/C=N/Cc1cc(NC)ccc1Cl
InChIInChI=1S/C16H16ClN3/c1-18-14-7-8-15(17)13(9-14)11-20-10-12-5-3-4-6-16(12)19-2/h3-10,18H,2,11H2,1H3/b20-10+
InChIKeyINIGLKYMNOADRG-KEBDBYFISA-N
MW285.78 g/mol
LogP4.33
Rot. Bonds5

About 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline

4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline (PubChem CID 144621773) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline
PubChem CID144621773
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline
SMILESC=Nc1ccccc1/C=N/Cc1cc(NC)ccc1Cl
InChIInChI=1S/C16H16ClN3/c1-18-14-7-8-15(17)13(9-14)11-20-10-12-5-3-4-6-16(12)19-2/h3-10,18H,2,11H2,1H3/b20-10+
InChIKeyINIGLKYMNOADRG-KEBDBYFISA-N
XLogP4.33
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline?
The IUPAC name of 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline (CID 144621773) is 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline.
What is the SMILES notation for 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline?
The canonical SMILES for 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline is C=Nc1ccccc1/C=N/Cc1cc(NC)ccc1Cl.
What is the InChIKey of 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline?
The InChIKey is INIGLKYMNOADRG-KEBDBYFISA-N. The full InChI is InChI=1S/C16H16ClN3/c1-18-14-7-8-15(17)13(9-14)11-20-10-12-5-3-4-6-16(12)19-2/h3-10,18H,2,11H2,1H3/b20-10+.
What are the key properties of 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline?
4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline has a molecular weight of 285.78 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[[[2-(methylideneamino)phenyl]methylideneamino]methyl]aniline is sourced from PubChem (CID 144621773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).