2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol

C16H26N2O2 — CID 104583926

IUPAC2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
SMILESCCN1CCOC(CNC(C)c2ccc(C)cc2O)C1
InChIInChI=1S/C16H26N2O2/c1-4-18-7-8-20-14(11-18)10-17-13(3)15-6-5-12(2)9-16(15)19/h5-6,9,13-14,17,19H,4,7-8,10-11H2,1-3H3
InChIKeyMIFVOGPGKNJFIS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.07
Rot. Bonds5

About 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol

2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol (PubChem CID 104583926) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
PubChem CID104583926
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
SMILESCCN1CCOC(CNC(C)c2ccc(C)cc2O)C1
InChIInChI=1S/C16H26N2O2/c1-4-18-7-8-20-14(11-18)10-17-13(3)15-6-5-12(2)9-16(15)19/h5-6,9,13-14,17,19H,4,7-8,10-11H2,1-3H3
InChIKeyMIFVOGPGKNJFIS-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]phenol
CID 114399621
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-phenylethanamine
CID 79165339
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515
N-[(4-ethylmorpholin-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 79164854
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
CID 82976718
N-[(4-ethylmorpholin-2-yl)methyl]-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 114399660
1-(4-ethoxyphenyl)-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 115900054
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 78946838
5-methyl-2-[1-(2-morpholin-4-ylethylamino)ethyl]phenol
CID 43201456
N-[(4-ethylmorpholin-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115899761
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 113353970

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol (CID 104583926) is 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol is CCN1CCOC(CNC(C)c2ccc(C)cc2O)C1.
What is the InChIKey of 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol?
The InChIKey is MIFVOGPGKNJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18-7-8-20-14(11-18)10-17-13(3)15-6-5-12(2)9-16(15)19/h5-6,9,13-14,17,19H,4,7-8,10-11H2,1-3H3.
What are the key properties of 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol?
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol has a molecular weight of 278.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 104583926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).