3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline

C14H10Cl2N2O2 — CID 154190515

IUPAC3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2cc3c(cc2Cl)OCO3)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-2-1-3-11(5-10)18-17-7-9-4-13-14(6-12(9)16)20-8-19-13/h1-7,18H,8H2
InChIKeyUZIOXWMIUQVMBL-UHFFFAOYSA-N
MW309.15 g/mol
LogP4.17
Rot. Bonds3

About 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline

3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline (PubChem CID 154190515) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline.

Molecular Properties

Compound Name3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline
PubChem CID154190515
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline
SMILESClc1cccc(NN=Cc2cc3c(cc2Cl)OCO3)c1
InChIInChI=1S/C14H10Cl2N2O2/c15-10-2-1-3-11(5-10)18-17-7-9-4-13-14(6-12(9)16)20-8-19-13/h1-7,18H,8H2
InChIKeyUZIOXWMIUQVMBL-UHFFFAOYSA-N
XLogP4.17
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-4-methylaniline
CID 9569081
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-chloroaniline
CID 9629785
1,3-Benzodioxole-5-carbaldehyde (2-methoxyphenyl)hydrazone
CID 9641913
1,3-Benzodioxole-5-carbaldehyde phenylhydrazone
CID 6436793
1,3-Benzodioxole-5-carboxaldehyde, phenylhydrazone
CID 5376969
N-(1,3-benzodioxol-5-ylmethylideneamino)-2,4-difluoroaniline
CID 4464190
1,3-Benzodioxole-5-carbaldehyde N-(3-chlorophenyl)thiosemicarbazone
CID 9637158
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(trifluoromethyl)aniline
CID 15415759
2-Chloro-N-piperonylideneaniline
CID 289440
1-(1,3-benzodioxol-5-yl)-N-(4-chlorophenyl)methanimine
CID 296366
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-4-methylaniline
CID 3478472
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,4-difluoroaniline
CID 9672033

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline?
The IUPAC name of 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline (CID 154190515) is 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline.
What is the SMILES notation for 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline?
The canonical SMILES for 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline is Clc1cccc(NN=Cc2cc3c(cc2Cl)OCO3)c1.
What is the InChIKey of 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline?
The InChIKey is UZIOXWMIUQVMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-10-2-1-3-11(5-10)18-17-7-9-4-13-14(6-12(9)16)20-8-19-13/h1-7,18H,8H2.
What are the key properties of 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline?
3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline has a molecular weight of 309.15 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]aniline is sourced from PubChem (CID 154190515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).