N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C18H19NO2 — CID 43204664

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCC1COc2ccccc2O1
InChIInChI=1S/C18H19NO2/c1-2-6-15-13(5-1)9-10-16(15)19-11-14-12-20-17-7-3-4-8-18(17)21-14/h1-8,14,16,19H,9-12H2
InChIKeyDDOUFTHMPRZPSE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.10
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 43204664) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID43204664
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESc1ccc2c(c1)CCC2NCC1COc2ccccc2O1
InChIInChI=1S/C18H19NO2/c1-2-6-15-13(5-1)9-10-16(15)19-11-14-12-20-17-7-3-4-8-18(17)21-14/h1-8,14,16,19H,9-12H2
InChIKeyDDOUFTHMPRZPSE-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107386387
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 167833665
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclobutan-1-amine
CID 23571445
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethylcyclopentan-1-amine
CID 64502068
S-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]thiohydroxylamine
CID 89344288
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
N-[(4-propan-2-ylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 64534300
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,2,2-trifluoroethanamine
CID 54892953
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
CID 60727404
2-(2,3-dihydro-1H-inden-1-ylamino)-N,N-dimethylacetamide
CID 43215159
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrimidin-2-amine
CID 3403878

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 43204664) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is c1ccc2c(c1)CCC2NCC1COc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DDOUFTHMPRZPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-6-15-13(5-1)9-10-16(15)19-11-14-12-20-17-7-3-4-8-18(17)21-14/h1-8,14,16,19H,9-12H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 43204664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).