[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine

C13H17NO — CID 116929020

IUPAC[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H17NO/c14-9-13(4-5-13)8-10-1-2-12-11(7-10)3-6-15-12/h1-2,7H,3-6,8-9,14H2
InChIKeyPDMZAANZHVFAFE-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.90
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine (PubChem CID 116929020) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
PubChem CID116929020
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
SMILESNCC1(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C13H17NO/c14-9-13(4-5-13)8-10-1-2-12-11(7-10)3-6-15-12/h1-2,7H,3-6,8-9,14H2
InChIKeyPDMZAANZHVFAFE-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
CID 116929640
[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 115243911
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 115245808
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614
2,3-dihydro-1-benzofuran-5-ylmethanethiol
CID 79885132
2,3-dihydro-1-benzofuran-5-ylmethylazanium
CID 6932006
magnesium;5-ethyl-2,3-dihydro-1-benzofuran;bromide
CID 156847219

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine (CID 116929020) is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine is NCC1(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine?
The InChIKey is PDMZAANZHVFAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c14-9-13(4-5-13)8-10-1-2-12-11(7-10)3-6-15-12/h1-2,7H,3-6,8-9,14H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine?
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine has a molecular weight of 203.28 g/mol, XLogP of 1.90, 3 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-5-ylmethyl)cyclopropyl]methanamine is sourced from PubChem (CID 116929020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).