3-chloro-4-methyl-N-(propylideneamino)aniline

C10H13ClN2 — CID 110842508

IUPAC3-chloro-4-methyl-N-(propylideneamino)aniline
SMILESCCC=NNc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H13ClN2/c1-3-6-12-13-9-5-4-8(2)10(11)7-9/h4-7,13H,3H2,1-2H3
InChIKeyBGEKISHRBYLFAS-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-4-methyl-N-(propylideneamino)aniline

3-chloro-4-methyl-N-(propylideneamino)aniline (PubChem CID 110842508) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(propylideneamino)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(propylideneamino)aniline
PubChem CID110842508
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name3-chloro-4-methyl-N-(propylideneamino)aniline
SMILESCCC=NNc1ccc(C)c(Cl)c1
InChIInChI=1S/C10H13ClN2/c1-3-6-12-13-9-5-4-8(2)10(11)7-9/h4-7,13H,3H2,1-2H3
InChIKeyBGEKISHRBYLFAS-UHFFFAOYSA-N
XLogP3.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-chloro-4-methyl-N-[(Z)-[(2S)-2-phenylpropylidene]amino]aniline
CID 9069302
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154
3-chloro-4-methyl-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]aniline
CID 9069242
3-chloro-4-methyl-N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]aniline
CID 6263624
3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
CID 7612601
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
4-[(E)-[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135676115
3-chloro-N-[(E)-(1-ethylindol-3-yl)methylideneamino]-4-methylaniline
CID 110506575
4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3407751
3-chloro-N-ethenyl-4-methylaniline
CID 143627294
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474
3-chloro-N-(3-ethylcyclopentyl)-4-methylaniline
CID 64502448

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(propylideneamino)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(propylideneamino)aniline (CID 110842508) is 3-chloro-4-methyl-N-(propylideneamino)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(propylideneamino)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(propylideneamino)aniline is CCC=NNc1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-4-methyl-N-(propylideneamino)aniline?
The InChIKey is BGEKISHRBYLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-3-6-12-13-9-5-4-8(2)10(11)7-9/h4-7,13H,3H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-N-(propylideneamino)aniline?
3-chloro-4-methyl-N-(propylideneamino)aniline has a molecular weight of 196.68 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(propylideneamino)aniline is sourced from PubChem (CID 110842508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).