6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine

C16H15Cl2NO2 — CID 43674519

IUPAC6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-10(11-3-2-4-12(17)7-11)19-14-9-16-15(8-13(14)18)20-5-6-21-16/h2-4,7-10,19H,5-6H2,1H3
InChIKeyIJOKRJYFUVICRQ-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.94
Rot. Bonds3

About 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine

6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43674519) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43674519
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC(Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1
InChIInChI=1S/C16H15Cl2NO2/c1-10(11-3-2-4-12(17)7-11)19-14-9-16-15(8-13(14)18)20-5-6-21-16/h2-4,7-10,19H,5-6H2,1H3
InChIKeyIJOKRJYFUVICRQ-UHFFFAOYSA-N
XLogP4.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674521
N-[1-(2-bromophenyl)ethyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674554
6-bromo-N-[1-(3-bromophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681824
3-[1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]ethyl]phenol
CID 43681827
2-bromo-3-chloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 103478545
4-[1-[(6-chloro-1,3-benzodioxol-5-yl)amino]ethyl]phenol
CID 43685872
3-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 55147569
2,6-dichloro-1-N-[1-(3-chlorophenyl)ethyl]benzene-1,4-diamine
CID 106890129
6-chloro-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674541
6-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674452
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
1-(3-chlorophenyl)-N-ethoxyethanamine
CID 78968845

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43674519) is 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine is CC(Nc1cc2c(cc1Cl)OCCO2)c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is IJOKRJYFUVICRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10(11-3-2-4-12(17)7-11)19-14-9-16-15(8-13(14)18)20-5-6-21-16/h2-4,7-10,19H,5-6H2,1H3.
What are the key properties of 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 324.21 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43674519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).