N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine

C18H25NO2 — CID 66363257

IUPACN-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(CC1(CNC3CC3)CCCOC1)O2
InChIInChI=1S/C18H25NO2/c1-2-5-17-14(4-1)10-16(21-17)11-18(8-3-9-20-13-18)12-19-15-6-7-15/h1-2,4-5,15-16,19H,3,6-13H2
InChIKeyMLROFWZIPSSRCR-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.93
Rot. Bonds5

About N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine

N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 66363257) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID66363257
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine
SMILESc1ccc2c(c1)CC(CC1(CNC3CC3)CCCOC1)O2
InChIInChI=1S/C18H25NO2/c1-2-5-17-14(4-1)10-16(21-17)11-18(8-3-9-20-13-18)12-19-15-6-7-15/h1-2,4-5,15-16,19H,3,6-13H2
InChIKeyMLROFWZIPSSRCR-UHFFFAOYSA-N
XLogP2.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(chloromethyl)oxan-3-yl]methyl]-2,3-dihydro-1-benzofuran
CID 66364854
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
[3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-3-yl]methanol
CID 66391192
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
N-[[3-[[cyclopropyl(methyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63741534
N-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]-N,4-dimethylaniline
CID 63739621
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
CID 113482006
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclooctan-1-amine
CID 80603246
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 66360702
1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]pyrrolidine-3,4-diol
CID 106674069
N-[[3-[(dipropylamino)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63740282
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-oxocyclohexane-1-carboxylic acid
CID 103574935

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine (CID 66363257) is N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine is c1ccc2c(c1)CC(CC1(CNC3CC3)CCCOC1)O2.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is MLROFWZIPSSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-5-17-14(4-1)10-16(21-17)11-18(8-3-9-20-13-18)12-19-15-6-7-15/h1-2,4-5,15-16,19H,3,6-13H2.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine?
N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 287.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66363257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).