2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine

C16H16N4O — CID 114687525

IUPAC2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
SMILESNC(COc1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H16N4O/c17-15(12-21-14-9-5-2-6-10-14)16-11-18-19-20(16)13-7-3-1-4-8-13/h1-11,15H,12,17H2
InChIKeyMCWCUSRXWHHOGF-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.35
Rot. Bonds5

About 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine

2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine (PubChem CID 114687525) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
PubChem CID114687525
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine
SMILESNC(COc1ccccc1)c1cnnn1-c1ccccc1
InChIInChI=1S/C16H16N4O/c17-15(12-21-14-9-5-2-6-10-14)16-11-18-19-20(16)13-7-3-1-4-8-13/h1-11,15H,12,17H2
InChIKeyMCWCUSRXWHHOGF-UHFFFAOYSA-N
XLogP2.35
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(3-phenyltriazol-4-yl)propan-1-amine
CID 114688531
2-(oxolan-2-yl)-1-(3-phenyltriazol-4-yl)ethanamine
CID 114686983
(3-methoxy-4-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 105066080
cyclopropyl-(3-phenyltriazol-4-yl)methanamine
CID 114687020
(5-methylpyrimidin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 114688939
(2-iodophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 105043267
(1S)-2-phenoxy-1-phenylethanamine;hydrochloride
CID 131882540
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571
(5-methylpyrazin-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105184416
(4-bromophenyl)-(3-phenyltriazol-4-yl)methanamine
CID 114686892
(1-ethoxycyclopentyl)-(3-phenyltriazol-4-yl)methanamine
CID 114689286
(5-ethylfuran-2-yl)-(3-phenyltriazol-4-yl)methanamine
CID 105043201

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine?
The IUPAC name of 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine (CID 114687525) is 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine is NC(COc1ccccc1)c1cnnn1-c1ccccc1.
What is the InChIKey of 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine?
The InChIKey is MCWCUSRXWHHOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(12-21-14-9-5-2-6-10-14)16-11-18-19-20(16)13-7-3-1-4-8-13/h1-11,15H,12,17H2.
What are the key properties of 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine?
2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine has a molecular weight of 280.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-(3-phenyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).