(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride

C10H14ClNO2 — CID 171205176

IUPAC(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cccc2c1OCO2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-2-8(11)7-4-3-5-9-10(7)13-6-12-9;/h3-5,8H,2,6,11H2,1H3;1H/t8-;/m1./s1
InChIKeyYTPMDKPMXIMZQT-DDWIOCJRSA-N
MW215.68 g/mol
LogP2.25
Rot. Bonds2

About (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride

(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride (PubChem CID 171205176) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride
PubChem CID171205176
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride
SMILESCC[C@@H](N)c1cccc2c1OCO2.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-2-8(11)7-4-3-5-9-10(7)13-6-12-9;/h3-5,8H,2,6,11H2,1H3;1H/t8-;/m1./s1
InChIKeyYTPMDKPMXIMZQT-DDWIOCJRSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzodioxol-4-yl)propan-1-amine
CID 55283444
(1S)-1-(1,3-benzodioxol-4-yl)propane-1,3-diamine;hydrochloride
CID 171224743
(2R)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 66513528
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)ethanol
CID 55277961
(1R,2S)-1-amino-1-(1,3-benzodioxol-4-yl)-3-methylpentan-2-ol;hydrochloride
CID 171264923
(1R)-1-(1,3-benzodioxol-4-yl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171205188
(1R)-1-(1,3-benzodioxol-4-yl)-2,2-difluoroethanamine
CID 130692389
(3R)-3-amino-3-(1,3-benzodioxol-4-yl)-2,2-dimethylpropan-1-ol
CID 131279088
ethyl (3R)-3-amino-3-(1,3-benzodioxol-4-yl)-2-fluoropropanoate;hydrochloride
CID 171244023
3-(1,3-benzodioxol-4-yl)-2-methylidenepentan-1-amine
CID 67852886
1-[2-(1,3-benzodioxol-4-yl)butyl]cyclopropan-1-amine
CID 83911793
(2S)-2-amino-2-(1,3-benzodioxol-4-yl)acetonitrile
CID 130857097

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride (CID 171205176) is (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride is CC[C@@H](N)c1cccc2c1OCO2.Cl.
What is the InChIKey of (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride?
The InChIKey is YTPMDKPMXIMZQT-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-2-8(11)7-4-3-5-9-10(7)13-6-12-9;/h3-5,8H,2,6,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride?
(1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,3-benzodioxol-4-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171205176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).