(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride

C12H16ClNO2 — CID 171213604

IUPAC(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C12H15NO2.ClH/c13-11(8-4-5-8)9-2-1-3-10-12(9)15-7-6-14-10;/h1-3,8,11H,4-7,13H2;1H/t11-;/m1./s1
InChIKeyKSNYTBGCCRLXNV-RFVHGSKJSA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds2

About (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride

(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride (PubChem CID 171213604) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
PubChem CID171213604
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
SMILESCl.N[C@@H](c1cccc2c1OCCO2)C1CC1
InChIInChI=1S/C12H15NO2.ClH/c13-11(8-4-5-8)9-2-1-3-10-12(9)15-7-6-14-10;/h1-3,8,11H,4-7,13H2;1H/t11-;/m1./s1
InChIKeyKSNYTBGCCRLXNV-RFVHGSKJSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105079651
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
cyclohexyl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 114744914
cyclopropyl-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324642
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
CID 105119551
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
(4S)-4-amino-4-(2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-ol;hydrochloride
CID 171233250
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805

Frequently Asked Questions

What is the IUPAC name of (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride?
The IUPAC name of (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride (CID 171213604) is (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride?
The canonical SMILES for (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride is Cl.N[C@@H](c1cccc2c1OCCO2)C1CC1.
What is the InChIKey of (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride?
The InChIKey is KSNYTBGCCRLXNV-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c13-11(8-4-5-8)9-2-1-3-10-12(9)15-7-6-14-10;/h1-3,8,11H,4-7,13H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride?
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 171213604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).