5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine

C16H20N2O — CID 104536354

IUPAC5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H20N2O/c1-4-8-18-14-9-15(11-17-10-14)19-16-7-5-6-12(2)13(16)3/h5-7,9-11,18H,4,8H2,1-3H3
InChIKeyLEDGGNPXMFQSAA-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.31
Rot. Bonds5

About 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine

5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine (PubChem CID 104536354) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
PubChem CID104536354
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine
SMILESCCCNc1cncc(Oc2cccc(C)c2C)c1
InChIInChI=1S/C16H20N2O/c1-4-8-18-14-9-15(11-17-10-14)19-16-7-5-6-12(2)13(16)3/h5-7,9-11,18H,4,8H2,1-3H3
InChIKeyLEDGGNPXMFQSAA-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3-dimethylphenoxy)-N-methylpyridin-3-amine
CID 104536353
5-(2,3-dichlorophenoxy)-N-propylpyridin-3-amine
CID 104536489
5-(2-methyl-5-propan-2-ylphenoxy)-N-propylpyridin-3-amine
CID 104536595
N-propyl-5-[3-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104536494
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
N-propyl-5-quinolin-5-yloxypyridin-3-amine
CID 103046193
5-(3-tert-butylphenoxy)-N-propylpyridin-3-amine
CID 104536558
5-(4-ethyl-2-methoxyphenoxy)-N-propylpyridin-3-amine
CID 107669663
5-[(5-bromo-3-pyridinyl)oxy]-N-propylpyridin-3-amine
CID 104536852
5-(4-methyl-2-nitrophenoxy)-N-propylpyridin-3-amine
CID 104536675
5-(2-fluoro-3-methylphenoxy)-N-methylpyridin-3-amine
CID 107662735
5-(5-bromo-2,3-difluorophenoxy)-N-propylpyridin-3-amine
CID 107102609

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine?
The IUPAC name of 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine (CID 104536354) is 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine?
The canonical SMILES for 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine is CCCNc1cncc(Oc2cccc(C)c2C)c1.
What is the InChIKey of 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine?
The InChIKey is LEDGGNPXMFQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-8-18-14-9-15(11-17-10-14)19-16-7-5-6-12(2)13(16)3/h5-7,9-11,18H,4,8H2,1-3H3.
What are the key properties of 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine?
5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenoxy)-N-propylpyridin-3-amine is sourced from PubChem (CID 104536354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).