N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine

C17H22N2O2 — CID 105075483

IUPACN-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCCOc1ccc(Oc2cnccc2CNCC)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-20-15-5-7-16(8-6-15)21-17-13-19-10-9-14(17)12-18-4-2/h5-10,13,18H,3-4,11-12H2,1-2H3
InChIKeyWJLZFTRJIAGSBC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.77
Rot. Bonds8

About N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 105075483) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID105075483
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCCOc1ccc(Oc2cnccc2CNCC)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-20-15-5-7-16(8-6-15)21-17-13-19-10-9-14(17)12-18-4-2/h5-10,13,18H,3-4,11-12H2,1-2H3
InChIKeyWJLZFTRJIAGSBC-UHFFFAOYSA-N
XLogP3.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
N-[[3-(3-ethoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075595
1-[3-(4-ethoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075216
N-[[3-(4-fluoro-3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075869
N-[[3-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 105075984
N-[[3-(2-ethoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074911
3-bromo-4-(4-propoxyphenoxy)pyridine
CID 104778843
N-[[3-(2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075332
N-[[3-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105075308
N-[[3-(2,4,5-trichlorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075180
N-[[3-(2-methylpentoxy)-4-pyridinyl]methyl]ethanamine
CID 103285372
N-[[3-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105075441

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine (CID 105075483) is N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine is CCCOc1ccc(Oc2cnccc2CNCC)cc1.
What is the InChIKey of N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is WJLZFTRJIAGSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-11-20-15-5-7-16(8-6-15)21-17-13-19-10-9-14(17)12-18-4-2/h5-10,13,18H,3-4,11-12H2,1-2H3.
What are the key properties of N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-propoxyphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105075483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).