1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine

C12H15NO — CID 79220094

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2COc3ccccc32)CC1
InChIInChI=1S/C12H15NO/c13-12(5-6-12)7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2
InChIKeyXQNDDZNWPYFCCK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.04
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine (PubChem CID 79220094) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
PubChem CID79220094
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2COc3ccccc32)CC1
InChIInChI=1S/C12H15NO/c13-12(5-6-12)7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2
InChIKeyXQNDDZNWPYFCCK-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclooctan-1-amine
CID 80604001
4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-amine
CID 79219418
3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-amine
CID 79220520
[4-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxan-4-yl]methanamine
CID 79229754
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 104769683
O-(2,3-dihydro-1-benzofuran-3-ylmethyl)hydroxylamine
CID 79426928
1-[1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopentyl]-N-methylmethanamine
CID 79229912
1-[2-(3,4-dihydro-2H-chromen-4-yl)ethyl]cyclopropan-1-amine
CID 83910100
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
3-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 114536040
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methylcyclohexane-1-carbonitrile
CID 79218364
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-propylazetidin-3-amine
CID 79229361

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine (CID 79220094) is 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine is NC1(CC2COc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine?
The InChIKey is XQNDDZNWPYFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c13-12(5-6-12)7-9-8-14-11-4-2-1-3-10(9)11/h1-4,9H,5-8,13H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine?
1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine has a molecular weight of 189.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 79220094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).