6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C17H16ClNO2 — CID 43674585

IUPAC6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESClc1cc2c(cc1NC1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C17H16ClNO2/c18-14-9-16-17(21-6-5-20-16)10-15(14)19-13-7-11-3-1-2-4-12(11)8-13/h1-4,9-10,13,19H,5-8H2
InChIKeyLOTCFEUXRYLPJU-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.69
Rot. Bonds2

About 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43674585) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43674585
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESClc1cc2c(cc1NC1Cc3ccccc3C1)OCCO2
InChIInChI=1S/C17H16ClNO2/c18-14-9-16-17(21-6-5-20-16)10-15(14)19-13-7-11-3-1-2-4-12(11)8-13/h1-4,9-10,13,19H,5-8H2
InChIKeyLOTCFEUXRYLPJU-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.69
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-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine with MolForge

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102772891
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)azepan-4-amine
CID 103981021
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81466228
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-2-amine
CID 65467595
6-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 81233576
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674521
6-chloro-N-(2,2,5,5-tetramethyloxolan-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79907143
6-chloro-N-(2-methylthian-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79957545
N-[1-(2-bromophenyl)ethyl]-6-chloro-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674554
6-chloro-N-[(2,6-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 78997462
6-chloro-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43674541
6-chloro-N-(4-ethylcyclohexyl)-1,3-benzodioxol-5-amine
CID 43685795

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43674585) is 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is Clc1cc2c(cc1NC1Cc3ccccc3C1)OCCO2.
What is the InChIKey of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is LOTCFEUXRYLPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-14-9-16-17(21-6-5-20-16)10-15(14)19-13-7-11-3-1-2-4-12(11)8-13/h1-4,9-10,13,19H,5-8H2.
What are the key properties of 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 301.77 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dihydro-1H-inden-2-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43674585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).