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

C10H13NO2 — CID 3046161

IUPAC(2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
InChIKeyNGBBVGZWCFBOGO-SSDOTTSWSA-N
MW179.22 g/mol
LogP1.30
Rot. Bonds2

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

(2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 3046161) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID3046161
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine
SMILESC[C@@H](N)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1
InChIKeyNGBBVGZWCFBOGO-SSDOTTSWSA-N
XLogP1.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Methoxytyramine
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Homoveratrylamine
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Methylenedioxyethamphetamine
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4-O-Methyldopamine
CID 1748
Dihydrosafrole
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N-Methyl-3,4-methylenedioxyamphetamine Hydrochloride
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3-Methoxy-4,5-methylenedioxyamphetamine
CID 26175
3,4,5-Trimethoxyamphetamine
CID 31016

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine (CID 3046161) is (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine is C[C@@H](N)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is NGBBVGZWCFBOGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine?
(2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 3046161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).