2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol

C16H26N2O2 — CID 79600243

IUPAC2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
SMILESCCNC(C)c1ccc(N2CCOCC2CC)cc1O
InChIInChI=1S/C16H26N2O2/c1-4-13-11-20-9-8-18(13)14-6-7-15(16(19)10-14)12(3)17-5-2/h6-7,10,12-13,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyXKLBQUSCOVYKBO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol

2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol (PubChem CID 79600243) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
PubChem CID79600243
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
SMILESCCNC(C)c1ccc(N2CCOCC2CC)cc1O
InChIInChI=1S/C16H26N2O2/c1-4-13-11-20-9-8-18(13)14-6-7-15(16(19)10-14)12(3)17-5-2/h6-7,10,12-13,17,19H,4-5,8-9,11H2,1-3H3
InChIKeyXKLBQUSCOVYKBO-UHFFFAOYSA-N
XLogP2.68
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-ethylmorpholin-4-yl)phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol (CID 79600243) is 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol is CCNC(C)c1ccc(N2CCOCC2CC)cc1O.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol?
The InChIKey is XKLBQUSCOVYKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-13-11-20-9-8-18(13)14-6-7-15(16(19)10-14)12(3)17-5-2/h6-7,10,12-13,17,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol?
2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol has a molecular weight of 278.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol is sourced from PubChem (CID 79600243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).