2-(phenoxymethyl)-N-propylpyridin-4-amine

C15H18N2O — CID 79250988

IUPAC2-(phenoxymethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-2-9-16-13-8-10-17-14(11-13)12-18-15-6-4-3-5-7-15/h3-8,10-11H,2,9,12H2,1H3,(H,16,17)
InChIKeyACPXBFSNTIUOSJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.48
Rot. Bonds6

About 2-(phenoxymethyl)-N-propylpyridin-4-amine

2-(phenoxymethyl)-N-propylpyridin-4-amine (PubChem CID 79250988) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(phenoxymethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)-N-propylpyridin-4-amine
PubChem CID79250988
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(phenoxymethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(COc2ccccc2)c1
InChIInChI=1S/C15H18N2O/c1-2-9-16-13-8-10-17-14(11-13)12-18-15-6-4-3-5-7-15/h3-8,10-11H,2,9,12H2,1H3,(H,16,17)
InChIKeyACPXBFSNTIUOSJ-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
2-[(4-methylsulfanylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260330
2-[(3,4-difluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251517
4-[[4-(propylamino)-2-pyridinyl]methoxy]benzamide
CID 79245655
N-propyl-2-[(2,4,6-trimethylphenoxy)methyl]pyridin-4-amine
CID 79261906
2-[(3-methoxyphenyl)methoxymethyl]-N-propylpyridin-4-amine
CID 79245756
2-[(2,5-dimethylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79250898
4-methyl-3-[[4-(propylamino)-2-pyridinyl]methoxy]benzonitrile
CID 107660604
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(phenoxymethyl)-N-propylpyridin-4-amine (CID 79250988) is 2-(phenoxymethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(phenoxymethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(phenoxymethyl)-N-propylpyridin-4-amine is CCCNc1ccnc(COc2ccccc2)c1.
What is the InChIKey of 2-(phenoxymethyl)-N-propylpyridin-4-amine?
The InChIKey is ACPXBFSNTIUOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-9-16-13-8-10-17-14(11-13)12-18-15-6-4-3-5-7-15/h3-8,10-11H,2,9,12H2,1H3,(H,16,17).
What are the key properties of 2-(phenoxymethyl)-N-propylpyridin-4-amine?
2-(phenoxymethyl)-N-propylpyridin-4-amine has a molecular weight of 242.32 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 79250988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).