4-[(2-methylpropan-2-yl)oxymethyl]aniline

C11H17NO — CID 28995369

IUPAC4-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCC(C)(C)OCc1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyCCZARLXYZZERPJ-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.58
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxymethyl]aniline

4-[(2-methylpropan-2-yl)oxymethyl]aniline (PubChem CID 28995369) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxymethyl]aniline.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxymethyl]aniline
PubChem CID28995369
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCC(C)(C)OCc1ccc(N)cc1
InChIInChI=1S/C11H17NO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3
InChIKeyCCZARLXYZZERPJ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]aniline?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxymethyl]aniline (CID 28995369) is 4-[(2-methylpropan-2-yl)oxymethyl]aniline.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxymethyl]aniline?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxymethyl]aniline is CC(C)(C)OCc1ccc(N)cc1.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxymethyl]aniline?
The InChIKey is CCZARLXYZZERPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)13-8-9-4-6-10(12)7-5-9/h4-7H,8,12H2,1-3H3.
What are the key properties of 4-[(2-methylpropan-2-yl)oxymethyl]aniline?
4-[(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 4-[(2-methylpropan-2-yl)oxymethyl]aniline is sourced from PubChem (CID 28995369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).