2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol

C19H26N2O4 — CID 47015161

IUPAC2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
SMILESCOc1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1O
InChIInChI=1S/C19H26N2O4/c1-14-3-5-18(25-14)16(21-7-9-24-10-8-21)13-20-12-15-4-6-19(23-2)17(22)11-15/h3-6,11,16,20,22H,7-10,12-13H2,1-2H3
InChIKeyCRIZZRCSDRYHJW-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.47
Rot. Bonds7

About 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol

2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol (PubChem CID 47015161) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
PubChem CID47015161
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol
SMILESCOc1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1O
InChIInChI=1S/C19H26N2O4/c1-14-3-5-18(25-14)16(21-7-9-24-10-8-21)13-20-12-15-4-6-19(23-2)17(22)11-15/h3-6,11,16,20,22H,7-10,12-13H2,1-2H3
InChIKeyCRIZZRCSDRYHJW-UHFFFAOYSA-N
XLogP2.47
TPSA67.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol?
The IUPAC name of 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol (CID 47015161) is 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol?
The canonical SMILES for 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol is COc1ccc(CNCC(c2ccc(C)o2)N2CCOCC2)cc1O.
What is the InChIKey of 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol?
The InChIKey is CRIZZRCSDRYHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-3-5-18(25-14)16(21-7-9-24-10-8-21)13-20-12-15-4-6-19(23-2)17(22)11-15/h3-6,11,16,20,22H,7-10,12-13H2,1-2H3.
What are the key properties of 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol?
2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol has a molecular weight of 346.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 47015161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).