2-[3-ethoxypropyl(methyl)amino]phenol

C12H19NO2 — CID 18006894

IUPAC2-[3-ethoxypropyl(methyl)amino]phenol
SMILESCCOCCCN(C)c1ccccc1O
InChIInChI=1S/C12H19NO2/c1-3-15-10-6-9-13(2)11-7-4-5-8-12(11)14/h4-5,7-8,14H,3,6,9-10H2,1-2H3
InChIKeyHMYLHLICIDDMIM-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-ethoxypropyl(methyl)amino]phenol

2-[3-ethoxypropyl(methyl)amino]phenol (PubChem CID 18006894) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[3-ethoxypropyl(methyl)amino]phenol.

Molecular Properties

Compound Name2-[3-ethoxypropyl(methyl)amino]phenol
PubChem CID18006894
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[3-ethoxypropyl(methyl)amino]phenol
SMILESCCOCCCN(C)c1ccccc1O
InChIInChI=1S/C12H19NO2/c1-3-15-10-6-9-13(2)11-7-4-5-8-12(11)14/h4-5,7-8,14H,3,6,9-10H2,1-2H3
InChIKeyHMYLHLICIDDMIM-UHFFFAOYSA-N
XLogP2.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Edrophonium Chloride
CID 8307
Edrophonium
CID 3202
3-(Diethylamino)phenol
CID 7062
N,N-Dibutyl-3-aminophenol
CID 601234
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
2-(Dimethylamino)phenol
CID 459235
o-(Methylamino)phenol
CID 69138
3-Morpholinophenol
CID 141343
2-(Pyrrolidin-1-yl)phenol
CID 2734845
1-(2-Hydroxyphenyl)-4-ethoxycarbonyl-piperazine
CID 2460961
2-[Benzyl(butyl)amino]phenol
CID 52933283
6-(Trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen iodide (1/1)
CID 30618

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxypropyl(methyl)amino]phenol?
The IUPAC name of 2-[3-ethoxypropyl(methyl)amino]phenol (CID 18006894) is 2-[3-ethoxypropyl(methyl)amino]phenol.
What is the SMILES notation for 2-[3-ethoxypropyl(methyl)amino]phenol?
The canonical SMILES for 2-[3-ethoxypropyl(methyl)amino]phenol is CCOCCCN(C)c1ccccc1O.
What is the InChIKey of 2-[3-ethoxypropyl(methyl)amino]phenol?
The InChIKey is HMYLHLICIDDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-15-10-6-9-13(2)11-7-4-5-8-12(11)14/h4-5,7-8,14H,3,6,9-10H2,1-2H3.
What are the key properties of 2-[3-ethoxypropyl(methyl)amino]phenol?
2-[3-ethoxypropyl(methyl)amino]phenol has a molecular weight of 209.29 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxypropyl(methyl)amino]phenol is sourced from PubChem (CID 18006894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).