2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol

C15H24N2O3 — CID 115314994

IUPAC2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N2CCOC(C(C)N)C2)c1
InChIInChI=1S/C15H24N2O3/c1-10(16)15-9-17(6-7-20-15)11(2)13-8-12(19-3)4-5-14(13)18/h4-5,8,10-11,15,18H,6-7,9,16H2,1-3H3
InChIKeyTXPFHRKWZGIMCG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol

2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol (PubChem CID 115314994) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
PubChem CID115314994
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N2CCOC(C(C)N)C2)c1
InChIInChI=1S/C15H24N2O3/c1-10(16)15-9-17(6-7-20-15)11(2)13-8-12(19-3)4-5-14(13)18/h4-5,8,10-11,15,18H,6-7,9,16H2,1-3H3
InChIKeyTXPFHRKWZGIMCG-UHFFFAOYSA-N
XLogP1.51
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
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-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol (CID 115314994) is 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)N2CCOC(C(C)N)C2)c1.
What is the InChIKey of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol?
The InChIKey is TXPFHRKWZGIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(16)15-9-17(6-7-20-15)11(2)13-8-12(19-3)4-5-14(13)18/h4-5,8,10-11,15,18H,6-7,9,16H2,1-3H3.
What are the key properties of 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol?
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol has a molecular weight of 280.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol is sourced from PubChem (CID 115314994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).