2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol

C12H19NO2 — CID 115216225

IUPAC2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
SMILESCOc1ccc(CN(C)CCO)cc1C
InChIInChI=1S/C12H19NO2/c1-10-8-11(4-5-12(10)15-3)9-13(2)6-7-14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyZQOFUVSSICPJDB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.43
Rot. Bonds5

About 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol

2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol (PubChem CID 115216225) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
PubChem CID115216225
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
SMILESCOc1ccc(CN(C)CCO)cc1C
InChIInChI=1S/C12H19NO2/c1-10-8-11(4-5-12(10)15-3)9-13(2)6-7-14/h4-5,8,14H,6-7,9H2,1-3H3
InChIKeyZQOFUVSSICPJDB-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-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
3-chloro-N-[(4-methoxy-3-methylphenyl)methyl]-N-methylpropan-1-amine
CID 115215695
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199383
N'-hydroxy-5-[[2-hydroxyethyl(methyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 65338672
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 60589490
2-[methyl-[(2,4,5-trimethoxyphenyl)methyl]amino]ethanol
CID 112683473
N-(methoxymethyl)-2-(4-methoxy-3-methylphenyl)-N-methylethanamine
CID 115258978
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
4-[(4-methoxy-3-propan-2-ylphenyl)methyl-methylamino]butan-1-ol
CID 115217660

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol?
The IUPAC name of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol (CID 115216225) is 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol.
What is the SMILES notation for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol?
The canonical SMILES for 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol is COc1ccc(CN(C)CCO)cc1C.
What is the InChIKey of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol?
The InChIKey is ZQOFUVSSICPJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-8-11(4-5-12(10)15-3)9-13(2)6-7-14/h4-5,8,14H,6-7,9H2,1-3H3.
What are the key properties of 2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol?
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol 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-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol is sourced from PubChem (CID 115216225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).