N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline

C16H15ClN2O2 — CID 9142531

IUPACN-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline
SMILESCc1ccccc1N/N=C\c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-18-10-12-8-13(17)16-15(9-12)20-6-7-21-16/h2-5,8-10,19H,6-7H2,1H3/b18-10-
InChIKeyPSHOCMKRCYLUIJ-ZDLGFXPLSA-N
MW302.76 g/mol
LogP3.87
Rot. Bonds3

About N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline

N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline (PubChem CID 9142531) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline.

Molecular Properties

Compound NameN-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline
PubChem CID9142531
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline
SMILESCc1ccccc1N/N=C\c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-18-10-12-8-13(17)16-15(9-12)20-6-7-21-16/h2-5,8-10,19H,6-7H2,1H3/b18-10-
InChIKeyPSHOCMKRCYLUIJ-ZDLGFXPLSA-N
XLogP3.87
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.87
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

N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-4-methylaniline
CID 9211300
N-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-2-methylbenzamide
CID 9295869
methyl N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]carbamate
CID 9143039
1-tert-butyl-3-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]thiourea
CID 9235646
1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-3-propan-2-ylthiourea
CID 9217044
2-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]aniline
CID 3290055
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-4-ethylbenzamide
CID 9180295
N-[(Z)-(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-fluoroaniline
CID 9143088
5-chloro-7-ethenyl-2,3-dihydro-1,4-benzodioxine
CID 64665956
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-methylaniline
CID 9014699
N-[(7-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617902
7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline?
The IUPAC name of N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline (CID 9142531) is N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline.
What is the SMILES notation for N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline?
The canonical SMILES for N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline is Cc1ccccc1N/N=C\c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline?
The InChIKey is PSHOCMKRCYLUIJ-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-11-4-2-3-5-14(11)19-18-10-12-8-13(17)16-15(9-12)20-6-7-21-16/h2-5,8-10,19H,6-7H2,1H3/b18-10-.
What are the key properties of N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline?
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline has a molecular weight of 302.76 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline is sourced from PubChem (CID 9142531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).