N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C18H27NO2 — CID 79219918

IUPACN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C18H27NO2/c1-17(2,3)19-12-18(8-9-20-13-18)10-14-11-21-16-7-5-4-6-15(14)16/h4-7,14,19H,8-13H2,1-3H3
InChIKeyJMJDLHHUNLWOCM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.35
Rot. Bonds4

About N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79219918) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79219918
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CC2COc3ccccc32)CCOC1
InChIInChI=1S/C18H27NO2/c1-17(2,3)19-12-18(8-9-20-13-18)10-14-11-21-16-7-5-4-6-15(14)16/h4-7,14,19H,8-13H2,1-3H3
InChIKeyJMJDLHHUNLWOCM-UHFFFAOYSA-N
XLogP3.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79219918) is N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CC2COc3ccccc32)CCOC1.
What is the InChIKey of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is JMJDLHHUNLWOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-17(2,3)19-12-18(8-9-20-13-18)10-14-11-21-16-7-5-4-6-15(14)16/h4-7,14,19H,8-13H2,1-3H3.
What are the key properties of N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,3-dihydro-1-benzofuran-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 3.35, 4 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-3-ylmethyl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79219918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).