5-(4-butylphenoxy)-N-methylpyridin-3-amine

C16H20N2O — CID 104536970

IUPAC5-(4-butylphenoxy)-N-methylpyridin-3-amine
SMILESCCCCc1ccc(Oc2cncc(NC)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-4-5-13-6-8-15(9-7-13)19-16-10-14(17-2)11-18-12-16/h6-12,17H,3-5H2,1-2H3
InChIKeyVCUJOWJHJPOFLB-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.26
Rot. Bonds6

About 5-(4-butylphenoxy)-N-methylpyridin-3-amine

5-(4-butylphenoxy)-N-methylpyridin-3-amine (PubChem CID 104536970) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(4-butylphenoxy)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-(4-butylphenoxy)-N-methylpyridin-3-amine
PubChem CID104536970
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(4-butylphenoxy)-N-methylpyridin-3-amine
SMILESCCCCc1ccc(Oc2cncc(NC)c2)cc1
InChIInChI=1S/C16H20N2O/c1-3-4-5-13-6-8-15(9-7-13)19-16-10-14(17-2)11-18-12-16/h6-12,17H,3-5H2,1-2H3
InChIKeyVCUJOWJHJPOFLB-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-(4-phenylphenoxy)pyridin-3-amine
CID 104536254
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-butylphenoxy)-1H-pyridazin-6-one
CID 103241860
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
N-ethyl-5-(4-methylphenoxy)pyridin-3-amine
CID 104536266
5-(4-propylphenoxy)pyridine-3-carbaldehyde
CID 113469461
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
but-1-ene;4-butyl-N-methylaniline
CID 142016759
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
5-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-methylpyridin-3-amine
CID 102747925

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenoxy)-N-methylpyridin-3-amine?
The IUPAC name of 5-(4-butylphenoxy)-N-methylpyridin-3-amine (CID 104536970) is 5-(4-butylphenoxy)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-(4-butylphenoxy)-N-methylpyridin-3-amine?
The canonical SMILES for 5-(4-butylphenoxy)-N-methylpyridin-3-amine is CCCCc1ccc(Oc2cncc(NC)c2)cc1.
What is the InChIKey of 5-(4-butylphenoxy)-N-methylpyridin-3-amine?
The InChIKey is VCUJOWJHJPOFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-4-5-13-6-8-15(9-7-13)19-16-10-14(17-2)11-18-12-16/h6-12,17H,3-5H2,1-2H3.
What are the key properties of 5-(4-butylphenoxy)-N-methylpyridin-3-amine?
5-(4-butylphenoxy)-N-methylpyridin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenoxy)-N-methylpyridin-3-amine is sourced from PubChem (CID 104536970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).