6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine

C15H19N3O — CID 107663681

IUPAC6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine
SMILESCCC(C)c1ccc(Oc2ccc(N)c(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-10(2)11-4-6-12(7-5-11)19-14-9-8-13(16)15(17)18-14/h4-10H,3,16H2,1-2H3,(H2,17,18)
InChIKeyJRVPCGJRJOUFTP-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.55
Rot. Bonds4

About 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine

6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine (PubChem CID 107663681) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine
PubChem CID107663681
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine
SMILESCCC(C)c1ccc(Oc2ccc(N)c(N)n2)cc1
InChIInChI=1S/C15H19N3O/c1-3-10(2)11-4-6-12(7-5-11)19-14-9-8-13(16)15(17)18-14/h4-10H,3,16H2,1-2H3,(H2,17,18)
InChIKeyJRVPCGJRJOUFTP-UHFFFAOYSA-N
XLogP3.55
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-butan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 107663733
6-(4-iodophenoxy)pyridine-2,3-diamine
CID 79826483
6-(4-butan-2-ylphenoxy)-N-ethylpyridin-2-amine
CID 107669557
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
N-[4-[(5,6-diamino-2-pyridinyl)oxy]phenyl]acetamide
CID 110178603
2-(4-butan-2-ylphenoxy)-4-(chloromethyl)-6-methylpyridine
CID 107667585
2-[4-[(2R)-butan-2-yl]phenoxy]-5-fluoroaniline
CID 26189675
(1S)-1-[2-(4-butan-2-ylphenoxy)-4-pyridinyl]ethanol
CID 107665917
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine?
The IUPAC name of 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine (CID 107663681) is 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine is CCC(C)c1ccc(Oc2ccc(N)c(N)n2)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine?
The InChIKey is JRVPCGJRJOUFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-10(2)11-4-6-12(7-5-11)19-14-9-8-13(16)15(17)18-14/h4-10H,3,16H2,1-2H3,(H2,17,18).
What are the key properties of 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine?
6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)pyridine-2,3-diamine is sourced from PubChem (CID 107663681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).