2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol

C22H32N2O3 — CID 25383853

IUPAC2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)c1O
InChIInChI=1S/C22H32N2O3/c1-4-26-21-7-5-6-19(22(21)25)15-23(3)14-18-10-12-24(13-11-18)16-20-9-8-17(2)27-20/h5-9,18,25H,4,10-16H2,1-3H3
InChIKeyFNHQVAYYYYBQSE-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.04
Rot. Bonds8

About 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol

2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol (PubChem CID 25383853) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
PubChem CID25383853
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol
SMILESCCOc1cccc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)c1O
InChIInChI=1S/C22H32N2O3/c1-4-26-21-7-5-6-19(22(21)25)15-23(3)14-18-10-12-24(13-11-18)16-20-9-8-17(2)27-20/h5-9,18,25H,4,10-16H2,1-3H3
InChIKeyFNHQVAYYYYBQSE-UHFFFAOYSA-N
XLogP4.04
TPSA49.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol (CID 25383853) is 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol is CCOc1cccc(CN(C)CC2CCN(Cc3ccc(C)o3)CC2)c1O.
What is the InChIKey of 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol?
The InChIKey is FNHQVAYYYYBQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-26-21-7-5-6-19(22(21)25)15-23(3)14-18-10-12-24(13-11-18)16-20-9-8-17(2)27-20/h5-9,18,25H,4,10-16H2,1-3H3.
What are the key properties of 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol?
2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol has a molecular weight of 372.51 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]amino]methyl]phenol is sourced from PubChem (CID 25383853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).