[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium

C17H17N2O2+ — CID 8022812

IUPAC[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium
SMILES[NH3+]C[C@H](c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c18-8-13(11-5-6-16-17(7-11)21-10-20-16)14-9-19-15-4-2-1-3-12(14)15/h1-7,9,13,19H,8,10,18H2/p+1/t13-/m1/s1
InChIKeyBDWOJIBKVAHWJJ-CYBMUJFWSA-O
MW281.34 g/mol
LogP2.27
Rot. Bonds3

About [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium

[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium (PubChem CID 8022812) has the molecular formula C17H17N2O2+ and a molecular weight of 281.34 g/mol. Its IUPAC name is [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium
PubChem CID8022812
Molecular FormulaC17H17N2O2+
Molecular Weight281.34 g/mol
Exact Mass281.13
IUPAC Name[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium
SMILES[NH3+]C[C@H](c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12
InChIInChI=1S/C17H16N2O2/c18-8-13(11-5-6-16-17(7-11)21-10-20-16)14-9-19-15-4-2-1-3-12(14)15/h1-7,9,13,19H,8,10,18H2/p+1/t13-/m1/s1
InChIKeyBDWOJIBKVAHWJJ-CYBMUJFWSA-O
XLogP2.27
TPSA61.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-indol-3-yl)propanoic acid
CID 42656837
ethyl 4-[(3R)-3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)propanoyl]piperazine-1-carboxylate
CID 93122139
4-[1,3-benzodioxol-5-yl(1H-indol-3-yl)methyl]-N-methylaniline
CID 134960682
3-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 46131354
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dichlorophenyl)-3-(1H-indol-3-yl)propanamide
CID 93122632
3-(1,3-benzodioxol-5-yl)-3-(5-bromo-1H-indol-3-yl)-1-phenylpropan-1-one
CID 101415572
N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 40862796
(2S)-N-(1,3-benzodioxol-5-yl)-2-[[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]amino]propanamide
CID 41042249
[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]azanium
CID 2113395
(2S)-2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(4-phenylphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 70249676
[(2S)-2-(1H-indol-3-yl)-2-(2-methoxyphenyl)ethyl]azanium
CID 7061229
(3R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 93122110

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium (CID 8022812) is [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium is [NH3+]C[C@H](c1ccc2c(c1)OCO2)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium?
The InChIKey is BDWOJIBKVAHWJJ-CYBMUJFWSA-O. The full InChI is InChI=1S/C17H16N2O2/c18-8-13(11-5-6-16-17(7-11)21-10-20-16)14-9-19-15-4-2-1-3-12(14)15/h1-7,9,13,19H,8,10,18H2/p+1/t13-/m1/s1.
What are the key properties of [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium?
[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium has a molecular weight of 281.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 8022812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).