4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline

C16H20N2O — CID 107874976

IUPAC4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline
SMILESCC(C)(C)c1ccc(OCc2ccc(N)cc2)nc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-6-9-15(18-10-13)19-11-12-4-7-14(17)8-5-12/h4-10H,11,17H2,1-3H3
InChIKeyMGXWVSTVFRCQMJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.54
Rot. Bonds3

About 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline

4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline (PubChem CID 107874976) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline
PubChem CID107874976
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline
SMILESCC(C)(C)c1ccc(OCc2ccc(N)cc2)nc1
InChIInChI=1S/C16H20N2O/c1-16(2,3)13-6-9-15(18-10-13)19-11-12-4-7-14(17)8-5-12/h4-10H,11,17H2,1-3H3
InChIKeyMGXWVSTVFRCQMJ-UHFFFAOYSA-N
XLogP3.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline?
The IUPAC name of 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline (CID 107874976) is 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline is CC(C)(C)c1ccc(OCc2ccc(N)cc2)nc1.
What is the InChIKey of 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline?
The InChIKey is MGXWVSTVFRCQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2,3)13-6-9-15(18-10-13)19-11-12-4-7-14(17)8-5-12/h4-10H,11,17H2,1-3H3.
What are the key properties of 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline?
4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline has a molecular weight of 256.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-2-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 107874976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).