3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline

C12H19NO2 — CID 81150835

IUPAC3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCOc1cc(N)cc(COC(C)(C)C)c1
InChIInChI=1S/C12H19NO2/c1-12(2,3)15-8-9-5-10(13)7-11(6-9)14-4/h5-7H,8,13H2,1-4H3
InChIKeyFKOXIRXMQMBURR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.59
Rot. Bonds3

About 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline

3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline (PubChem CID 81150835) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
PubChem CID81150835
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCOc1cc(N)cc(COC(C)(C)C)c1
InChIInChI=1S/C12H19NO2/c1-12(2,3)15-8-9-5-10(13)7-11(6-9)14-4/h5-7H,8,13H2,1-4H3
InChIKeyFKOXIRXMQMBURR-UHFFFAOYSA-N
XLogP2.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-(2-methylbutan-2-yloxymethyl)aniline
CID 81149908
butane;3-methoxy-5-(methoxymethyl)aniline
CID 67748962
3-(fluoromethyl)-5-methoxyaniline
CID 90226418
3-methoxy-5-[2-(2-methoxyethoxy)ethoxymethyl]aniline
CID 104560296
1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
3-methoxy-5-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 81150413
3-(cyclopentyloxymethyl)-5-methoxyaniline
CID 81150187
3-methoxy-5-(1-methoxypropan-2-yloxymethyl)aniline
CID 81149767
3-[(3,4-dimethylcyclohexyl)oxymethyl]-5-methoxyaniline
CID 81150699
2-[(3,5-dimethoxyphenyl)methoxy]-2-methylpropane-1,3-diol
CID 135039830
1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 81149954
ethane;methanethiol;1-methoxy-3-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 142276005

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline?
The IUPAC name of 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline (CID 81150835) is 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline.
What is the SMILES notation for 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline?
The canonical SMILES for 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline is COc1cc(N)cc(COC(C)(C)C)c1.
What is the InChIKey of 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline?
The InChIKey is FKOXIRXMQMBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)15-8-9-5-10(13)7-11(6-9)14-4/h5-7H,8,13H2,1-4H3.
What are the key properties of 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline?
3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline has a molecular weight of 209.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]aniline is sourced from PubChem (CID 81150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).