2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol

C23H26N2O2 — CID 137306954

IUPAC2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
SMILESCCNc1cc(-c2ccc(OC(C)C)cc2)cc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C23H26N2O2/c1-5-24-23-14-18(17-7-9-19(10-8-17)27-15(2)3)13-21(25-23)20-12-16(4)6-11-22(20)26/h6-15,26H,5H2,1-4H3,(H,24,25)
InChIKeyQBNDIDHGIAGGDB-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.65
Rot. Bonds6

About 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol

2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol (PubChem CID 137306954) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol.

Molecular Properties

Compound Name2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
PubChem CID137306954
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol
SMILESCCNc1cc(-c2ccc(OC(C)C)cc2)cc(-c2cc(C)ccc2O)n1
InChIInChI=1S/C23H26N2O2/c1-5-24-23-14-18(17-7-9-19(10-8-17)27-15(2)3)13-21(25-23)20-12-16(4)6-11-22(20)26/h6-15,26H,5H2,1-4H3,(H,24,25)
InChIKeyQBNDIDHGIAGGDB-UHFFFAOYSA-N
XLogP5.65
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(propan-2-ylamino)-2-pyridinyl]phenol
CID 137290738
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
N-ethyl-5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-amine
CID 55145179
2-[4-(3-fluorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-4-methylphenol
CID 137306873
2-[4-(1,3-benzodioxol-5-yl)-6-(ethylamino)-2-pyridinyl]-4-chlorophenol
CID 137307190
N-ethyl-2-(4-propan-2-yloxyphenyl)pyridin-4-amine
CID 102824750
4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile
CID 137306913
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290680
2-[4-(2,3-difluorophenyl)-6-(ethylamino)-2-pyridinyl]phenol
CID 137306707
2-[4-(4-chloro-3-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]-4-methylphenol
CID 137290609
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
CID 63485807

Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The IUPAC name of 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol (CID 137306954) is 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol.
What is the SMILES notation for 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The canonical SMILES for 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol is CCNc1cc(-c2ccc(OC(C)C)cc2)cc(-c2cc(C)ccc2O)n1.
What is the InChIKey of 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
The InChIKey is QBNDIDHGIAGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-5-24-23-14-18(17-7-9-19(10-8-17)27-15(2)3)13-21(25-23)20-12-16(4)6-11-22(20)26/h6-15,26H,5H2,1-4H3,(H,24,25).
What are the key properties of 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol?
2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol has a molecular weight of 362.47 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylamino)-4-(4-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylphenol is sourced from PubChem (CID 137306954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).