2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol

C15H24N2O3 — CID 81204822

IUPAC2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
SMILESCCNC(C)c1ccc(N2CCOC(CO)C2)cc1O
InChIInChI=1S/C15H24N2O3/c1-3-16-11(2)14-5-4-12(8-15(14)19)17-6-7-20-13(9-17)10-18/h4-5,8,11,13,16,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyBDOOBCMCFYXJHP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.26
Rot. Bonds5

About 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol

2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol (PubChem CID 81204822) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
PubChem CID81204822
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
SMILESCCNC(C)c1ccc(N2CCOC(CO)C2)cc1O
InChIInChI=1S/C15H24N2O3/c1-3-16-11(2)14-5-4-12(8-15(14)19)17-6-7-20-13(9-17)10-18/h4-5,8,11,13,16,18-19H,3,6-7,9-10H2,1-2H3
InChIKeyBDOOBCMCFYXJHP-UHFFFAOYSA-N
XLogP1.26
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol (CID 81204822) is 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol is CCNC(C)c1ccc(N2CCOC(CO)C2)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol?
The InChIKey is BDOOBCMCFYXJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-16-11(2)14-5-4-12(8-15(14)19)17-6-7-20-13(9-17)10-18/h4-5,8,11,13,16,18-19H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol?
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol has a molecular weight of 280.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol is sourced from PubChem (CID 81204822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).