(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride

C13H18ClNO — CID 171202488

IUPAC(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO.ClH/c14-12(7-9-1-2-9)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,1-2,5-7,14H2;1H/t12-;/m1./s1
InChIKeyOAZUGWCNTLEINA-UTONKHPSSA-N
MW239.75 g/mol
LogP2.84
Rot. Bonds3

About (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride

(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride (PubChem CID 171202488) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
PubChem CID171202488
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride
SMILESCl.N[C@H](CC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO.ClH/c14-12(7-9-1-2-9)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,1-2,5-7,14H2;1H/t12-;/m1./s1
InChIKeyOAZUGWCNTLEINA-UTONKHPSSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoroethanamine;hydrochloride
CID 171202474
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine;hydrochloride
CID 86262999
1-(2,3-dihydro-1-benzofuran-5-yl)-2-pyrrolidin-2-ylethanamine
CID 116936032
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethanamine;hydrochloride
CID 171216786
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 105003509
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-fluoropropan-1-amine
CID 131499914
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride (CID 171202488) is (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride is Cl.N[C@H](CC1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride?
The InChIKey is OAZUGWCNTLEINA-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17NO.ClH/c14-12(7-9-1-2-9)10-3-4-13-11(8-10)5-6-15-13;/h3-4,8-9,12H,1-2,5-7,14H2;1H/t12-;/m1./s1.
What are the key properties of (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride?
(1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride has a molecular weight of 239.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 171202488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).