N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine

C13H17NO — CID 43754666

IUPACN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO/c1-9(14-12-3-4-12)10-2-5-13-11(8-10)6-7-15-13/h2,5,8-9,12,14H,3-4,6-7H2,1H3
InChIKeyQVOUENUMOUOAGX-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.43
Rot. Bonds3

About N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine (PubChem CID 43754666) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
PubChem CID43754666
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO/c1-9(14-12-3-4-12)10-2-5-13-11(8-10)6-7-15-13/h2,5,8-9,12,14H,3-4,6-7H2,1H3
InChIKeyQVOUENUMOUOAGX-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylcyclopentan-1-amine
CID 115714913
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039770
1-cyclohexyl-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 62405191
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methylsulfonylphenyl)cyclopentan-1-amine
CID 77407497
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79861502
2-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropan-1-amine
CID 83154976
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81406233
tert-butyl 3-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]piperidine-1-carboxylate
CID 113261588
(1R)-N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 81347474
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpentan-2-amine
CID 43775759
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
CID 116906138

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine (CID 43754666) is N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine is CC(NC1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine?
The InChIKey is QVOUENUMOUOAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(14-12-3-4-12)10-2-5-13-11(8-10)6-7-15-13/h2,5,8-9,12,14H,3-4,6-7H2,1H3.
What are the key properties of N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine?
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine has a molecular weight of 203.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 43754666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).