2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride

C10H14ClNO3 — CID 170893090

IUPAC2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3.ClH/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9;/h1-2,4,8,12H,3,5-6,11H2;1H
InChIKeyOJDYCLQALFBHRO-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.70
Rot. Bonds3

About 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride

2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride (PubChem CID 170893090) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
PubChem CID170893090
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3.ClH/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9;/h1-2,4,8,12H,3,5-6,11H2;1H
InChIKeyOJDYCLQALFBHRO-UHFFFAOYSA-N
XLogP0.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol
CID 28804627
(2S)-1-(1,3-benzodioxol-5-yl)butan-2-amine
CID 54579998
(2R)-3-(1,3-benzodioxol-5-yl)propane-1,2-diol
CID 10932365
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
CID 16720165
2-amino-3-(1,3-benzodioxol-5-yl)propanoyl chloride;hydrochloride
CID 21438828
(2S)-3-(1,3-benzodioxol-5-yl)-2-(methylamino)propan-1-ol
CID 151168520
2-amino-3-(6-chloro-1,3-benzodioxol-5-yl)propan-1-ol
CID 131351020
(2R)-3-(1,3-benzodioxol-5-yl)-2-methylpropan-1-amine
CID 42325917
4-(2-amino-3-hydroxypropyl)benzene-1,2-diol;hydrochloride
CID 170891857
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
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride (CID 170893090) is 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is OJDYCLQALFBHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c11-8(5-12)3-7-1-2-9-10(4-7)14-6-13-9;/h1-2,4,8,12H,3,5-6,11H2;1H.
What are the key properties of 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).