[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol

C13H21NO2 — CID 115229495

IUPAC[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
SMILESCOc1ccc(CCN(C)CO)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-10-11(2)13(16-4)6-5-12(10)7-8-14(3)9-15/h5-6,15H,7-9H2,1-4H3
InChIKeyWEKPWUKGZHPHND-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.74
Rot. Bonds5

About [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol

[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol (PubChem CID 115229495) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol.

Molecular Properties

Compound Name[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
PubChem CID115229495
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol
SMILESCOc1ccc(CCN(C)CO)c(C)c1C
InChIInChI=1S/C13H21NO2/c1-10-11(2)13(16-4)6-5-12(10)7-8-14(3)9-15/h5-6,15H,7-9H2,1-4H3
InChIKeyWEKPWUKGZHPHND-UHFFFAOYSA-N
XLogP1.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]butan-2-one
CID 115236061
2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylcyanamide
CID 117043513
2-(2,4-dimethoxy-3-methylphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261302
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
2-(2,4-dimethoxy-3-methylphenyl)ethyl-methylcyanamide
CID 117043515
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
1-methoxy-2,3-dimethyl-4-[(Z)-pent-3-enyl]benzene
CID 83939746
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol?
The IUPAC name of [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol (CID 115229495) is [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol.
What is the SMILES notation for [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol?
The canonical SMILES for [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol is COc1ccc(CCN(C)CO)c(C)c1C.
What is the InChIKey of [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol?
The InChIKey is WEKPWUKGZHPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-11(2)13(16-4)6-5-12(10)7-8-14(3)9-15/h5-6,15H,7-9H2,1-4H3.
What are the key properties of [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol?
[2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-2,3-dimethylphenyl)ethyl-methylamino]methanol is sourced from PubChem (CID 115229495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).