(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H17NO2 — CID 69206313

IUPAC(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-18-15-9-14(12-4-2-3-5-13(12)15)11-6-7-16-17(8-11)20-10-19-16/h2-8,14-15,18H,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyRWNKETJYTFOCDU-HUUCEWRRSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds2

About (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine

(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 69206313) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID69206313
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-18-15-9-14(12-4-2-3-5-13(12)15)11-6-7-16-17(8-11)20-10-19-16/h2-8,14-15,18H,9-10H2,1H3/t14-,15-/m1/s1
InChIKeyRWNKETJYTFOCDU-HUUCEWRRSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Mdai
CID 125558
N-(1,3-dioxaindan-5-ylmethyl)cyclopentanamine
CID 871518
2-(1,3-benzodioxol-5-yl)-N-[(2-fluorophenyl)methyl]ethanamine
CID 2163740
N-((1,3-dioxaindan-5-yl)methyl)cyclohexanamine
CID 408361
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxybenzyl)ethanamine
CID 1990828
2-(1,3-benzodioxol-5-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 2247700
3-(1,3-benzodioxol-5-yl)-N-ethyl-6-methylheptan-1-amine
CID 4891899
[3-(1,3-Benzodioxol-5-yl)-4-phenylbutyl](2-fluorobenzyl)amine hydrochloride
CID 2921918
5H-Indeno(5,6-d)-1,3-dioxole, 6-butyl-5-dimethylamino-, hydrochloride
CID 3039685
5H-Indeno(5,6-d)-1,3-dioxol-5-aminium, 6-butyl-N,N,N-trimethyl-, iodide
CID 3067071
5,6-dimethoxy-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 20749347
(3-Benzo[1,3]dioxol-5-yl-3-phenyl-propyl)-(4-methoxy-benzyl)-amine
CID 2921524

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 69206313) is (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is CN[C@@H]1C[C@H](c2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RWNKETJYTFOCDU-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18-15-9-14(12-4-2-3-5-13(12)15)11-6-7-16-17(8-11)20-10-19-16/h2-8,14-15,18H,9-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine?
(1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 69206313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).