4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol

C20H20N2O — CID 68948532

IUPAC4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol
SMILESCC(C)c1ccc(Nc2cncc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C20H20N2O/c1-14(2)15-3-7-18(8-4-15)22-19-11-17(12-21-13-19)16-5-9-20(23)10-6-16/h3-14,22-23H,1-2H3
InChIKeyKMBWEHDLKCPZGV-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.32
Rot. Bonds4

About 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol

4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol (PubChem CID 68948532) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol
PubChem CID68948532
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol
SMILESCC(C)c1ccc(Nc2cncc(-c3ccc(O)cc3)c2)cc1
InChIInChI=1S/C20H20N2O/c1-14(2)15-3-7-18(8-4-15)22-19-11-17(12-21-13-19)16-5-9-20(23)10-6-16/h3-14,22-23H,1-2H3
InChIKeyKMBWEHDLKCPZGV-UHFFFAOYSA-N
XLogP5.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-propan-2-ylanilino)phenol
CID 21326552
3-N-ethyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-diamine
CID 104532249
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
5-phenyl-N-(5-phenyl-3-pyridinyl)pyridin-3-amine
CID 146533965
methane;4-propan-2-ylphenol
CID 159328733
3,5-di(propan-2-yl)-N-(4-propan-2-ylphenyl)aniline
CID 177290097
molecular hydrogen;N-phenyl-5-propan-2-ylpyridin-3-amine
CID 177237775
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
N-(2-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241657
N-(3-methylphenyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109241841
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
CID 22648594

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol?
The IUPAC name of 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol (CID 68948532) is 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol.
What is the SMILES notation for 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol?
The canonical SMILES for 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol is CC(C)c1ccc(Nc2cncc(-c3ccc(O)cc3)c2)cc1.
What is the InChIKey of 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol?
The InChIKey is KMBWEHDLKCPZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14(2)15-3-7-18(8-4-15)22-19-11-17(12-21-13-19)16-5-9-20(23)10-6-16/h3-14,22-23H,1-2H3.
What are the key properties of 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol?
4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol has a molecular weight of 304.39 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-propan-2-ylanilino)-3-pyridinyl]phenol is sourced from PubChem (CID 68948532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).