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

C10H14ClNO3 — CID 43865922

IUPAC3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H
InChIKeyLZIDAQCWYQPNBJ-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.22
Rot. Bonds3

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

3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride (PubChem CID 43865922) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
PubChem CID43865922
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CCO)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H
InChIKeyLZIDAQCWYQPNBJ-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)pentan-1-amine;hydrochloride
CID 171236418
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
5-amino-5-(1,3-benzodioxol-5-yl)pentanoic acid
CID 82367144
1-(1,3-benzodioxol-5-yl)-4-methylpentane-1,4-diamine
CID 116934734
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
2-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]sulfanylpropan-1-ol
CID 113374038
(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
(3R)-3-amino-3-(6-bromo-1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 171213217
3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]butan-1-ol
CID 83176928

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The IUPAC name of 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride (CID 43865922) is 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride is Cl.NC(CCO)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
The InChIKey is LZIDAQCWYQPNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.ClH/c11-8(3-4-12)7-1-2-9-10(5-7)14-6-13-9;/h1-2,5,8,12H,3-4,6,11H2;1H.
What are the key properties of 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride?
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 43865922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).