[2-(1-phenylethoxy)-4-pyridinyl]methanamine

C14H16N2O — CID 18071091

IUPAC[2-(1-phenylethoxy)-4-pyridinyl]methanamine
SMILESCC(Oc1cc(CN)ccn1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-11(13-5-3-2-4-6-13)17-14-9-12(10-15)7-8-16-14/h2-9,11H,10,15H2,1H3
InChIKeyHXAHPEQXISBMPD-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.68
Rot. Bonds4

About [2-(1-phenylethoxy)-4-pyridinyl]methanamine

[2-(1-phenylethoxy)-4-pyridinyl]methanamine (PubChem CID 18071091) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-(1-phenylethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-phenylethoxy)-4-pyridinyl]methanamine
PubChem CID18071091
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name[2-(1-phenylethoxy)-4-pyridinyl]methanamine
SMILESCC(Oc1cc(CN)ccn1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-11(13-5-3-2-4-6-13)17-14-9-12(10-15)7-8-16-14/h2-9,11H,10,15H2,1H3
InChIKeyHXAHPEQXISBMPD-UHFFFAOYSA-N
XLogP2.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-phenylethoxy)-4-pyridinyl]methanol
CID 61256752
4-bromo-2-(1-phenylethoxy)pyridine
CID 170431674
[2-(2-propan-2-ylphenoxy)-4-pyridinyl]methanamine
CID 16795671
[2-(1,1,1-trifluoro-3-methoxypropan-2-yl)oxy-4-pyridinyl]methanamine
CID 168955789
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
4-chloro-6-(1-phenylethoxy)pyrimidine
CID 61279152
5-amino-2-(1-phenylethoxy)pyridine-4-carboxamide
CID 114090660
4-methyl-2-(1-pyridin-4-ylethoxy)pyridine
CID 126954932
[3-(1-pyridin-3-ylethoxy)phenyl]methanamine
CID 82037282
5-bromo-4-methyl-2-(1-phenylethoxy)pyridine
CID 114870646
[2-(3-methylbut-3-enoxy)-4-pyridinyl]methanamine
CID 114470522
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-(1-phenylethoxy)-4-pyridinyl]methanamine (CID 18071091) is [2-(1-phenylethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-phenylethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1-phenylethoxy)-4-pyridinyl]methanamine is CC(Oc1cc(CN)ccn1)c1ccccc1.
What is the InChIKey of [2-(1-phenylethoxy)-4-pyridinyl]methanamine?
The InChIKey is HXAHPEQXISBMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11(13-5-3-2-4-6-13)17-14-9-12(10-15)7-8-16-14/h2-9,11H,10,15H2,1H3.
What are the key properties of [2-(1-phenylethoxy)-4-pyridinyl]methanamine?
[2-(1-phenylethoxy)-4-pyridinyl]methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 18071091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).