N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine

C12H15NO — CID 43163825

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)CC(CNC1CC1)O2
InChIInChI=1S/C12H15NO/c1-2-4-12-9(3-1)7-11(14-12)8-13-10-5-6-10/h1-4,10-11,13H,5-8H2
InChIKeyOEJPZVWTFLXFDN-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.74
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine (PubChem CID 43163825) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
PubChem CID43163825
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
SMILESc1ccc2c(c1)CC(CNC1CC1)O2
InChIInChI=1S/C12H15NO/c1-2-4-12-9(3-1)7-11(14-12)8-13-10-5-6-10/h1-4,10-11,13H,5-8H2
InChIKeyOEJPZVWTFLXFDN-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
3-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentane-1,3-diamine
CID 79462285
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 66348971
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757393
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-propan-2-ylazepan-4-amine
CID 65073328
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-cyclohexyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 60752409
N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
CID 66364052
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 75382521
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine (CID 43163825) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine is c1ccc2c(c1)CC(CNC1CC1)O2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine?
The InChIKey is OEJPZVWTFLXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-12-9(3-1)7-11(14-12)8-13-10-5-6-10/h1-4,10-11,13H,5-8H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine has a molecular weight of 189.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 43163825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).