5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine

C18H24N2O — CID 104536595

IUPAC5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-8-20-16-10-17(12-19-11-16)21-18-9-15(13(2)3)7-6-14(18)4/h6-7,9-13,20H,5,8H2,1-4H3
InChIKeyAUFNLPZIQSRCIU-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.13
Rot. Bonds6

About 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine

5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine (PubChem CID 104536595) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
PubChem CID104536595
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cc(C(C)C)ccc2C)c1
InChIInChI=1S/C18H24N2O/c1-5-8-20-16-10-17(12-19-11-16)21-18-9-15(13(2)3)7-6-14(18)4/h6-7,9-13,20H,5,8H2,1-4H3
InChIKeyAUFNLPZIQSRCIU-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
CID 104536354
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-[(5-methyl-1H-pyrazol-3-yl)oxy]-N-propylpyridin-3-amine
CID 104536945
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
5-(1-propan-2-ylpyrazol-4-yl)oxy-N-propylpyridin-3-amine
CID 116806496
5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
CID 104536675
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609
N-ethyl-5-(5-methyl-2-propan-2-ylphenoxy)pyridin-3-amine
CID 104536364
N-propyl-5-quinolin-5-yloxypyridin-3-amine
CID 103046193
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine (CID 104536595) is 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine is CCCNc1cncc(Oc2cc(C(C)C)ccc2C)c1.
What is the InChIKey of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine?
The InChIKey is AUFNLPZIQSRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-8-20-16-10-17(12-19-11-16)21-18-9-15(13(2)3)7-6-14(18)4/h6-7,9-13,20H,5,8H2,1-4H3.
What are the key properties of 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine?
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine has a molecular weight of 284.40 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 104536595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).