2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol

C12H19NO3 — CID 43590666

IUPAC2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
SMILESCCOCCNCc1cc(OC)ccc1O
InChIInChI=1S/C12H19NO3/c1-3-16-7-6-13-9-10-8-11(15-2)4-5-12(10)14/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyBGPGEKFDOMCOIZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.53
Rot. Bonds7

About 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol

2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol (PubChem CID 43590666) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
PubChem CID43590666
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
SMILESCCOCCNCc1cc(OC)ccc1O
InChIInChI=1S/C12H19NO3/c1-3-16-7-6-13-9-10-8-11(15-2)4-5-12(10)14/h4-5,8,13-14H,3,6-7,9H2,1-2H3
InChIKeyBGPGEKFDOMCOIZ-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.53
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-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
4-methoxy-2-[(3-phenoxypropylamino)methyl]phenol
CID 62379116
4-methoxy-2-[(2-phenylethylamino)methyl]phenol
CID 28615660
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
2-[(3-chloroprop-1-en-2-ylamino)methyl]-4-methoxyphenol
CID 89225397
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
2-[(2-hydroxy-5-methoxyphenyl)methylamino]propane-1,3-diol
CID 65310161
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol (CID 43590666) is 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol is CCOCCNCc1cc(OC)ccc1O.
What is the InChIKey of 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol?
The InChIKey is BGPGEKFDOMCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-16-7-6-13-9-10-8-11(15-2)4-5-12(10)14/h4-5,8,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol?
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol is sourced from PubChem (CID 43590666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).