2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol

C17H21NO3 — CID 114332030

IUPAC2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
SMILESCCOc1ccccc1OCCNCc1ccccc1O
InChIInChI=1S/C17H21NO3/c1-2-20-16-9-5-6-10-17(16)21-12-11-18-13-14-7-3-4-8-15(14)19/h3-10,18-19H,2,11-13H2,1H3
InChIKeyPGDHEFZNTRPHNQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.96
Rot. Bonds8

About 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol

2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol (PubChem CID 114332030) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
PubChem CID114332030
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
SMILESCCOc1ccccc1OCCNCc1ccccc1O
InChIInChI=1S/C17H21NO3/c1-2-20-16-9-5-6-10-17(16)21-12-11-18-13-14-7-3-4-8-15(14)19/h3-10,18-19H,2,11-13H2,1H3
InChIKeyPGDHEFZNTRPHNQ-UHFFFAOYSA-N
XLogP2.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
2-(2-ethoxyphenoxy)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106010953
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-benzyl-2-[2-(2-ethoxyphenoxy)ethoxy]ethanamine
CID 2296532
2-[(2-propan-2-yloxyethylamino)methyl]phenol
CID 104588313
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
2-(ethylaminomethyl)phenol
CID 12995218
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol (CID 114332030) is 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol is CCOc1ccccc1OCCNCc1ccccc1O.
What is the InChIKey of 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol?
The InChIKey is PGDHEFZNTRPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-2-20-16-9-5-6-10-17(16)21-12-11-18-13-14-7-3-4-8-15(14)19/h3-10,18-19H,2,11-13H2,1H3.
What are the key properties of 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol?
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol has a molecular weight of 287.36 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol is sourced from PubChem (CID 114332030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).