2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol

C18H24N2O — CID 14498360

IUPAC2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol
SMILESCC(C)c1cc(Nc2cccnc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H24N2O/c1-12(2)15-9-14(20-13-7-6-8-19-11-13)10-16(17(15)21)18(3,4)5/h6-12,20-21H,1-5H3
InChIKeyNKUFIMYHHMBFCO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.95
Rot. Bonds3

About 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol

2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol (PubChem CID 14498360) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol
PubChem CID14498360
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol
SMILESCC(C)c1cc(Nc2cccnc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H24N2O/c1-12(2)15-9-14(20-13-7-6-8-19-11-13)10-16(17(15)21)18(3,4)5/h6-12,20-21H,1-5H3
InChIKeyNKUFIMYHHMBFCO-UHFFFAOYSA-N
XLogP4.95
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol?
The IUPAC name of 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol (CID 14498360) is 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol?
The canonical SMILES for 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol is CC(C)c1cc(Nc2cccnc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol?
The InChIKey is NKUFIMYHHMBFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-12(2)15-9-14(20-13-7-6-8-19-11-13)10-16(17(15)21)18(3,4)5/h6-12,20-21H,1-5H3.
What are the key properties of 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol?
2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol has a molecular weight of 284.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-propan-2-yl-4-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 14498360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).