2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol

C12H19NO4 — CID 82715781

IUPAC2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
SMILESCCOc1cccc(CNOCCOC)c1O
InChIInChI=1S/C12H19NO4/c1-3-16-11-6-4-5-10(12(11)14)9-13-17-8-7-15-2/h4-6,13-14H,3,7-9H2,1-2H3
InChIKeyUUIHKTRCWISISD-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.46
Rot. Bonds8

About 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol

2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol (PubChem CID 82715781) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
PubChem CID82715781
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol
SMILESCCOc1cccc(CNOCCOC)c1O
InChIInChI=1S/C12H19NO4/c1-3-16-11-6-4-5-10(12(11)14)9-13-17-8-7-15-2/h4-6,13-14H,3,7-9H2,1-2H3
InChIKeyUUIHKTRCWISISD-UHFFFAOYSA-N
XLogP1.46
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-(2-ethoxyphenoxy)-N-(2-methoxyethoxy)ethanamine
CID 82723021
2-[(2,6-dibromoanilino)methyl]-6-ethoxyphenol
CID 107597220
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
2-bromo-6-[(ethoxyamino)methyl]phenol
CID 82709957
N-(2-methoxyethoxy)-1-naphthalen-1-ylmethanamine
CID 82710702
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol?
The IUPAC name of 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol (CID 82715781) is 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol is CCOc1cccc(CNOCCOC)c1O.
What is the InChIKey of 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol?
The InChIKey is UUIHKTRCWISISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-16-11-6-4-5-10(12(11)14)9-13-17-8-7-15-2/h4-6,13-14H,3,7-9H2,1-2H3.
What are the key properties of 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol?
2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol has a molecular weight of 241.29 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(2-methoxyethoxyamino)methyl]phenol is sourced from PubChem (CID 82715781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).