2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol

C13H21NO2 — CID 82979119

IUPAC2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
SMILESCCN(CCOC)C(C)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-4-14(9-10-16-3)11(2)12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyYUMYFZVTZVCWQB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.42
Rot. Bonds6

About 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol

2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol (PubChem CID 82979119) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
PubChem CID82979119
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol
SMILESCCN(CCOC)C(C)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-4-14(9-10-16-3)11(2)12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyYUMYFZVTZVCWQB-UHFFFAOYSA-N
XLogP2.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-1-[bis(2-methoxyethyl)amino]ethyl]phenol
CID 82042898
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[1-[2-methoxyethyl(3-methoxypropyl)amino]propyl]phenol
CID 82978164
2-[1-[2-(dimethylamino)ethyl-propylamino]ethyl]phenol
CID 82978176
2-[1-[(3-amino-2,2-dimethylpropyl)-ethylamino]ethyl]phenol
CID 79660854
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
4-bromo-2-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82981118
2-[1-(2-hydroxyphenyl)ethyl-propylamino]acetic acid
CID 65064982
2-[1-[2-methoxyethyl(2-methylpropyl)amino]ethyl]benzene-1,3-diol
CID 107711784
2-[1-[2-[2-methoxyethyl(methyl)amino]ethylamino]propyl]phenol
CID 62844463
3-[butan-2-yl(2-methoxyethyl)amino]-1-(2-chlorophenyl)propan-1-ol
CID 62630165
1-(2-bromophenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 61448446

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol (CID 82979119) is 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol is CCN(CCOC)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol?
The InChIKey is YUMYFZVTZVCWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14(9-10-16-3)11(2)12-7-5-6-8-13(12)15/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol?
2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2-methoxyethyl)amino]ethyl]phenol is sourced from PubChem (CID 82979119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).