[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol

C15H21NO3 — CID 103766545

IUPAC[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2Cc3ccccc3O2)CCOCC1
InChIInChI=1S/C15H21NO3/c17-11-15(5-7-18-8-6-15)16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,13,16-17H,5-11H2
InChIKeyPWMYYKUIXMFZTR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.12
Rot. Bonds4

About [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol

[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol (PubChem CID 103766545) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
PubChem CID103766545
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol
SMILESOCC1(NCC2Cc3ccccc3O2)CCOCC1
InChIInChI=1S/C15H21NO3/c17-11-15(5-7-18-8-6-15)16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,13,16-17H,5-11H2
InChIKeyPWMYYKUIXMFZTR-UHFFFAOYSA-N
XLogP1.12
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyloxolan-3-amine
CID 113482006
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxane-4-carboxamide
CID 62232839
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 104585916
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)oxan-4-amine
CID 54895838
4-(chloromethyl)-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]oxan-4-amine
CID 106300027
[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
CID 66361165
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
1-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclobutane-1-carboxamide
CID 81172657
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethyl-2-[(4-phenyloxan-4-yl)methyl]guanidine
CID 111950131
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol (CID 103766545) is [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol is OCC1(NCC2Cc3ccccc3O2)CCOCC1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol?
The InChIKey is PWMYYKUIXMFZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-11-15(5-7-18-8-6-15)16-10-13-9-12-3-1-2-4-14(12)19-13/h1-4,13,16-17H,5-11H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol?
[4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)oxan-4-yl]methanol is sourced from PubChem (CID 103766545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).