2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine

C17H22N2O — CID 79250898

IUPAC2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2cc(C)ccc2C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-10-13(2)5-6-14(17)3/h5-7,9-11H,4,8,12H2,1-3H3,(H,18,19)
InChIKeyVLXFELIPGMNSOA-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.10
Rot. Bonds6

About 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine

2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine (PubChem CID 79250898) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
PubChem CID79250898
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2cc(C)ccc2C)c1
InChIInChI=1S/C17H22N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-10-13(2)5-6-14(17)3/h5-7,9-11H,4,8,12H2,1-3H3,(H,18,19)
InChIKeyVLXFELIPGMNSOA-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-(phenoxymethyl)-N-propylpyridin-4-amine
CID 79250988
2-[(2,5-dimethylphenoxy)methyl]pyridin-4-amine
CID 79250809
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
[2-[(2-chloro-5-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259210
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine (CID 79250898) is 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(COc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine?
The InChIKey is VLXFELIPGMNSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-8-18-15-7-9-19-16(11-15)12-20-17-10-13(2)5-6-14(17)3/h5-7,9-11H,4,8,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine?
2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79250898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).