3-phenoxy-N-(pyridin-2-ylmethyl)aniline

C18H16N2O — CID 61369486

IUPAC3-phenoxy-N-(pyridin-2-ylmethyl)aniline
SMILESc1ccc(Oc2cccc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C18H16N2O/c1-2-9-17(10-3-1)21-18-11-6-8-15(13-18)20-14-16-7-4-5-12-19-16/h1-13,20H,14H2
InChIKeyCYCUWXLTIUWLEU-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.49
Rot. Bonds5

About 3-phenoxy-N-(pyridin-2-ylmethyl)aniline

3-phenoxy-N-(pyridin-2-ylmethyl)aniline (PubChem CID 61369486) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-phenoxy-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-phenoxy-N-(pyridin-2-ylmethyl)aniline
PubChem CID61369486
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-phenoxy-N-(pyridin-2-ylmethyl)aniline
SMILESc1ccc(Oc2cccc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C18H16N2O/c1-2-9-17(10-3-1)21-18-11-6-8-15(13-18)20-14-16-7-4-5-12-19-16/h1-13,20H,14H2
InChIKeyCYCUWXLTIUWLEU-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-2-ylmethyl)-3-pyridin-2-yloxyaniline
CID 75518345
4-[3-(pyridin-2-ylmethylamino)phenoxy]butanenitrile
CID 60942993
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
CID 60688412
1-(3-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111597441
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
3-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43461683
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 3-phenoxy-N-(pyridin-2-ylmethyl)aniline (CID 61369486) is 3-phenoxy-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 3-phenoxy-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 3-phenoxy-N-(pyridin-2-ylmethyl)aniline is c1ccc(Oc2cccc(NCc3ccccn3)c2)cc1.
What is the InChIKey of 3-phenoxy-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is CYCUWXLTIUWLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-2-9-17(10-3-1)21-18-11-6-8-15(13-18)20-14-16-7-4-5-12-19-16/h1-13,20H,14H2.
What are the key properties of 3-phenoxy-N-(pyridin-2-ylmethyl)aniline?
3-phenoxy-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 276.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 61369486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).