3-(dimethoxyamino)-2-ethylphenol

C10H15NO3 — CID 141144177

IUPAC3-(dimethoxyamino)-2-ethylphenol
SMILESCCc1c(O)cccc1N(OC)OC
InChIInChI=1S/C10H15NO3/c1-4-8-9(11(13-2)14-3)6-5-7-10(8)12/h5-7,12H,4H2,1-3H3
InChIKeyDMMTXQCKIHMMMS-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.88
Rot. Bonds4

About 3-(dimethoxyamino)-2-ethylphenol

3-(dimethoxyamino)-2-ethylphenol (PubChem CID 141144177) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(dimethoxyamino)-2-ethylphenol.

Molecular Properties

Compound Name3-(dimethoxyamino)-2-ethylphenol
PubChem CID141144177
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(dimethoxyamino)-2-ethylphenol
SMILESCCc1c(O)cccc1N(OC)OC
InChIInChI=1S/C10H15NO3/c1-4-8-9(11(13-2)14-3)6-5-7-10(8)12/h5-7,12H,4H2,1-3H3
InChIKeyDMMTXQCKIHMMMS-UHFFFAOYSA-N
XLogP1.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-amino-2-ethyl-3-hydroxyanilino)cyclohexa-2,5-diene-1,4-dione
CID 71245172
2-ethylbenzene-1,3-diol;2-propylbenzene-1,3-diol
CID 159775903
(N-acetyloxy-2-ethyl-3-methylanilino) acetate
CID 45108183
(N-acetyloxy-3-chloro-2-ethylanilino) acetate
CID 46398837
bis(2-ethyl-3-hydroxyphenyl)methanone
CID 154331637
2-(2-methoxyethyl)benzene-1,3-diol
CID 54168621
methyl N-(3-chloro-2-ethylphenyl)-N-methoxycarbonylcarbamate
CID 141144731
3-methoxy-2-propylphenol
CID 10607156
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
2-ethyl-3-hexoxyphenol
CID 118561746
2-ethyl-3-(3-hydroxypropyl)phenol
CID 123721152
3-ethyl-2-(2-ethyl-3-hydroxyphenyl)phenol
CID 101302719

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxyamino)-2-ethylphenol?
The IUPAC name of 3-(dimethoxyamino)-2-ethylphenol (CID 141144177) is 3-(dimethoxyamino)-2-ethylphenol.
What is the SMILES notation for 3-(dimethoxyamino)-2-ethylphenol?
The canonical SMILES for 3-(dimethoxyamino)-2-ethylphenol is CCc1c(O)cccc1N(OC)OC.
What is the InChIKey of 3-(dimethoxyamino)-2-ethylphenol?
The InChIKey is DMMTXQCKIHMMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-8-9(11(13-2)14-3)6-5-7-10(8)12/h5-7,12H,4H2,1-3H3.
What are the key properties of 3-(dimethoxyamino)-2-ethylphenol?
3-(dimethoxyamino)-2-ethylphenol has a molecular weight of 197.23 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxyamino)-2-ethylphenol is sourced from PubChem (CID 141144177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).