7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine

C17H21Cl2NO2 — CID 143319949

IUPAC7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine
SMILESCC.CN.Clc1cc2c(c(-c3ccccc3Cl)c1)OCCO2
InChIInChI=1S/C14H10Cl2O2.C2H6.CH5N/c15-9-7-11(10-3-1-2-4-12(10)16)14-13(8-9)17-5-6-18-14;2*1-2/h1-4,7-8H,5-6H2;1-2H3;2H2,1H3
InChIKeyPAKFICZUTUWZJZ-UHFFFAOYSA-N
MW342.27 g/mol
LogP5.03
Rot. Bonds1

About 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine

7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine (PubChem CID 143319949) has the molecular formula C17H21Cl2NO2 and a molecular weight of 342.27 g/mol. Its IUPAC name is 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine.

Molecular Properties

Compound Name7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine
PubChem CID143319949
Molecular FormulaC17H21Cl2NO2
Molecular Weight342.27 g/mol
Exact Mass341.09
IUPAC Name7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine
SMILESCC.CN.Clc1cc2c(c(-c3ccccc3Cl)c1)OCCO2
InChIInChI=1S/C14H10Cl2O2.C2H6.CH5N/c15-9-7-11(10-3-1-2-4-12(10)16)14-13(8-9)17-5-6-18-14;2*1-2/h1-4,7-8H,5-6H2;1-2H3;2H2,1H3
InChIKeyPAKFICZUTUWZJZ-UHFFFAOYSA-N
XLogP5.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine
CID 153023113
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884
7-chloro-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 141056369
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 90860259
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylidene]indene-1,3-dione
CID 9353065
5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxine
CID 20765776
[(3S)-5-(2-chlorophenyl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 25026657
N-[(Z)-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-2-methylaniline
CID 9142531
(4Z)-2-(2-chlorophenyl)-4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-1,3-oxazol-5-one
CID 26475473
6-chloro-8-(2-fluorophenyl)-3,4-dihydro-2H-chromene
CID 143663681
2-(7-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 84702910

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine?
The IUPAC name of 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine (CID 143319949) is 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine.
What is the SMILES notation for 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine?
The canonical SMILES for 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine is CC.CN.Clc1cc2c(c(-c3ccccc3Cl)c1)OCCO2.
What is the InChIKey of 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine?
The InChIKey is PAKFICZUTUWZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2.C2H6.CH5N/c15-9-7-11(10-3-1-2-4-12(10)16)14-13(8-9)17-5-6-18-14;2*1-2/h1-4,7-8H,5-6H2;1-2H3;2H2,1H3.
What are the key properties of 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine?
7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine has a molecular weight of 342.27 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine;ethane;methanamine is sourced from PubChem (CID 143319949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).