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

C11H17NO — CID 28995273

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCC(C)(C)OCc1cccc(N)c1
InChIInChI=1S/C11H17NO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChIKeyGBMBKGPSYIFCSP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.58
Rot. Bonds2

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

3-[(2-methylpropan-2-yl)oxymethyl]aniline (PubChem CID 28995273) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]aniline.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]aniline
PubChem CID28995273
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCC(C)(C)OCc1cccc(N)c1
InChIInChI=1S/C11H17NO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3
InChIKeyGBMBKGPSYIFCSP-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]aniline (CID 28995273) is 3-[(2-methylpropan-2-yl)oxymethyl]aniline.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]aniline is CC(C)(C)OCc1cccc(N)c1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The InChIKey is GBMBKGPSYIFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8,12H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]aniline?
3-[(2-methylpropan-2-yl)oxymethyl]aniline has a molecular weight of 179.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]aniline is sourced from PubChem (CID 28995273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).