(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride

C12H16ClNO2 — CID 171216786

IUPAC(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO2.ClH/c13-10(5-8-1-2-8)9-3-4-11-12(6-9)15-7-14-11;/h3-4,6,8,10H,1-2,5,7,13H2;1H/t10-;/m1./s1
InChIKeyKUFYUIHAFBANGU-HNCPQSOCSA-N
MW241.72 g/mol
LogP2.64
Rot. Bonds3

About (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride

(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride (PubChem CID 171216786) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
PubChem CID171216786
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO2.ClH/c13-10(5-8-1-2-8)9-3-4-11-12(6-9)15-7-14-11;/h3-4,6,8,10H,1-2,5,7,13H2;1H/t10-;/m1./s1
InChIKeyKUFYUIHAFBANGU-HNCPQSOCSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 171202488
3-amino-3-(1,3-benzodioxol-5-yl)propan-1-ol;hydrochloride
CID 43865922
(1S)-2-cyclopropyl-1-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanamine
CID 171235314
(1S)-1-(1,3-benzodioxol-5-yl)pentan-1-amine;hydrochloride
CID 171236418
(S)-1,3-benzodioxol-5-yl(cyclohexyl)methanamine;hydrochloride
CID 171236430
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
CID 16796104
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
1,3-benzodioxol-5-yl(cycloheptyl)methanamine
CID 82931380
1-(1,3-benzodioxol-5-yl)-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 43264160
1-(1,3-benzodioxol-5-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanamine
CID 61441471

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride?
The IUPAC name of (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride (CID 171216786) is (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc2c(c1)OCO2.
What is the InChIKey of (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride?
The InChIKey is KUFYUIHAFBANGU-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c13-10(5-8-1-2-8)9-3-4-11-12(6-9)15-7-14-11;/h3-4,6,8,10H,1-2,5,7,13H2;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride?
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.64, 3 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-5-yl)-2-cyclopropylethanamine;hydrochloride is sourced from PubChem (CID 171216786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).