(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine

C11H15NO2 — CID 42325917

IUPAC(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8H,4,6-7,12H2,1H3/t8-/m1/s1
InChIKeyOGPMOPKKBHZJLT-MRVPVSSYSA-N
MW193.25 g/mol
LogP1.55
Rot. Bonds3

About (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine

(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine (PubChem CID 42325917) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
PubChem CID42325917
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
SMILESC[C@@H](CN)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8H,4,6-7,12H2,1H3/t8-/m1/s1
InChIKeyOGPMOPKKBHZJLT-MRVPVSSYSA-N
XLogP1.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropan-1-amine
CID 64664962
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]methanimine
CID 69401308
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
(2S)-1-(1,3-benzodioxol-5-yl)butan-2-amine
CID 54579998
(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
CID 28804627
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
1-(1,3-benzodioxol-5-yl)propan-2-yl 2-aminoacetate;propane
CID 142400293

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine (CID 42325917) is (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine is C[C@@H](CN)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine?
The InChIKey is OGPMOPKKBHZJLT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(6-12)4-9-2-3-10-11(5-9)14-7-13-10/h2-3,5,8H,4,6-7,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine?
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 42325917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).