[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol

C12H19NO2 — CID 112612503

IUPAC[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCCN(C)C
InChIInChI=1S/C12H19NO2/c1-10-5-4-6-11(9-14)12(10)15-8-7-13(2)3/h4-6,14H,7-9H2,1-3H3
InChIKeyUFUPAFDUYAAJGF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.43
Rot. Bonds5

About [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol

[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol (PubChem CID 112612503) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
PubChem CID112612503
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCCN(C)C
InChIInChI=1S/C12H19NO2/c1-10-5-4-6-11(9-14)12(10)15-8-7-13(2)3/h4-6,14H,7-9H2,1-3H3
InChIKeyUFUPAFDUYAAJGF-UHFFFAOYSA-N
XLogP1.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
(2-decoxy-3-methylphenyl)methanol
CID 115956202
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
CID 106726317
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
1-[2-[3-(dimethylamino)propoxy]-3-methylphenyl]butan-2-amine
CID 114526345
2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
1,1,1-trifluoro-3-[2-(hydroxymethyl)-6-methylphenoxy]propan-2-ol
CID 112612406
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol (CID 112612503) is [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol is Cc1cccc(CO)c1OCCN(C)C.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol?
The InChIKey is UFUPAFDUYAAJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-5-4-6-11(9-14)12(10)15-8-7-13(2)3/h4-6,14H,7-9H2,1-3H3.
What are the key properties of [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol?
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol has a molecular weight of 209.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol is sourced from PubChem (CID 112612503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).