4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline

C17H21FN2O — CID 137499296

IUPAC4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline
SMILESCC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1
InChIInChI=1S/C17H21FN2O/c1-10(2)14-8-13(18)9-15(17(14)19)12-5-6-20-16(7-12)21-11(3)4/h5-11H,19H2,1-4H3
InChIKeyNWFRDQFYQXDNQV-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.38
Rot. Bonds4

About 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline

4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline (PubChem CID 137499296) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline
PubChem CID137499296
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline
SMILESCC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1
InChIInChI=1S/C17H21FN2O/c1-10(2)14-8-13(18)9-15(17(14)19)12-5-6-20-16(7-12)21-11(3)4/h5-11H,19H2,1-4H3
InChIKeyNWFRDQFYQXDNQV-UHFFFAOYSA-N
XLogP4.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline?
The IUPAC name of 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline (CID 137499296) is 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline.
What is the SMILES notation for 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline?
The canonical SMILES for 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline is CC(C)Oc1cc(-c2cc(F)cc(C(C)C)c2N)ccn1.
What is the InChIKey of 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline?
The InChIKey is NWFRDQFYQXDNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-10(2)14-8-13(18)9-15(17(14)19)12-5-6-20-16(7-12)21-11(3)4/h5-11H,19H2,1-4H3.
What are the key properties of 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline?
4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline has a molecular weight of 288.37 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-yl-6-(2-propan-2-yloxy-4-pyridinyl)aniline is sourced from PubChem (CID 137499296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).