4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride

C10H16ClNO2 — CID 115616005

IUPAC4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
SMILESCCOc1ccc(O)c(CNC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-13-9-4-5-10(12)8(6-9)7-11-2;/h4-6,11-12H,3,7H2,1-2H3;1H
InChIKeyPOGXFMVDLXQPCC-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.93
Rot. Bonds4

About 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride

4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride (PubChem CID 115616005) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
PubChem CID115616005
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride
SMILESCCOc1ccc(O)c(CNC)c1.Cl
InChIInChI=1S/C10H15NO2.ClH/c1-3-13-9-4-5-10(12)8(6-9)7-11-2;/h4-6,11-12H,3,7H2,1-2H3;1H
InChIKeyPOGXFMVDLXQPCC-UHFFFAOYSA-N
XLogP1.93
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
4-ethoxy-2-(propylaminomethyl)phenol;hydrochloride
CID 115602867
1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
4-ethoxy-2-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenol
CID 111118422
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
4-ethoxy-2-[[(4-hydroxy-2,2-dimethylpentyl)amino]methyl]phenol
CID 111467860
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
4-ethoxy-2-methoxyphenol
CID 54107015
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
1-[4-(4-ethoxyphenoxy)-2-methylphenyl]-N-methylmethanamine
CID 62128798
2-[[(3-ethoxyphenyl)methylamino]methyl]-4-methylphenol
CID 63324515
2-(1-aminoethyl)-4-ethoxyphenol
CID 19748523

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride?
The IUPAC name of 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride (CID 115616005) is 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride.
What is the SMILES notation for 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride?
The canonical SMILES for 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride is CCOc1ccc(O)c(CNC)c1.Cl.
What is the InChIKey of 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride?
The InChIKey is POGXFMVDLXQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-3-13-9-4-5-10(12)8(6-9)7-11-2;/h4-6,11-12H,3,7H2,1-2H3;1H.
What are the key properties of 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride?
4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(methylaminomethyl)phenol;hydrochloride is sourced from PubChem (CID 115616005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).