(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C20H21NO2 — CID 129285469

IUPAC(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CC[C@@]21C[C@H]1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO2/c1-2-4-16-15(3-1)7-8-20(16)12-19(20)21-13-14-5-6-17-18(11-14)23-10-9-22-17/h1-6,11,19,21H,7-10,12-13H2/t19-,20-/m1/s1
InChIKeyQBNIGHLDJSXZBT-WOJBJXKFSA-N
MW307.39 g/mol
LogP3.20
Rot. Bonds3

About (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 129285469) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID129285469
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESc1ccc2c(c1)CC[C@@]21C[C@H]1NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21NO2/c1-2-4-16-15(3-1)7-8-20(16)12-19(20)21-13-14-5-6-17-18(11-14)23-10-9-22-17/h1-6,11,19,21H,7-10,12-13H2/t19-,20-/m1/s1
InChIKeyQBNIGHLDJSXZBT-WOJBJXKFSA-N
XLogP3.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R,4S)-N-benzylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 129294066
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
N-(pyridin-3-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-amine
CID 122463380
N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43202744
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 2853101
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)cyclohexanamine;ethane
CID 142837750
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylcyclohexan-1-amine
CID 28615139
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-naphthalen-2-ylmethanamine
CID 134033259
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501654
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)cyclohexan-1-ol
CID 62358859

Frequently Asked Questions

What is the IUPAC name of (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 129285469) is (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is c1ccc2c(c1)CC[C@@]21C[C@H]1NCc1ccc2c(c1)OCCO2.
What is the InChIKey of (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is QBNIGHLDJSXZBT-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H21NO2/c1-2-4-16-15(3-1)7-8-20(16)12-19(20)21-13-14-5-6-17-18(11-14)23-10-9-22-17/h1-6,11,19,21H,7-10,12-13H2/t19-,20-/m1/s1.
What are the key properties of (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
(1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 307.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 129285469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).