2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine

C15H18N2O2 — CID 79799508

IUPAC2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCCOc2ccccc2)cn1
InChIInChI=1S/C15H18N2O2/c16-9-8-13-6-7-15(12-17-13)19-11-10-18-14-4-2-1-3-5-14/h1-7,12H,8-11,16H2
InChIKeyZDPCVVIJEVNRGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.04
Rot. Bonds7

About 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine

2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine (PubChem CID 79799508) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
PubChem CID79799508
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine
SMILESNCCc1ccc(OCCOc2ccccc2)cn1
InChIInChI=1S/C15H18N2O2/c16-9-8-13-6-7-15(12-17-13)19-11-10-18-14-4-2-1-3-5-14/h1-7,12H,8-11,16H2
InChIKeyZDPCVVIJEVNRGW-UHFFFAOYSA-N
XLogP2.04
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
2-(5-methoxy-2-pyridinyl)ethanamine;hydrochloride
CID 86280253
2-[5-(2-methylpropoxy)-2-pyridinyl]ethanamine
CID 79799793
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
2-[5-(2-imidazol-1-ylethoxy)-2-pyridinyl]ethanamine
CID 79799328
2-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]ethanamine
CID 79800061
2-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 79799613
3-[2-(2-phenoxyethoxy)ethoxy]propan-1-amine
CID 21297450
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
2-[5-[(5-ethylthiophen-2-yl)methoxy]-2-pyridinyl]ethanamine
CID 79800152
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine (CID 79799508) is 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine is NCCc1ccc(OCCOc2ccccc2)cn1.
What is the InChIKey of 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine?
The InChIKey is ZDPCVVIJEVNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-8-13-6-7-15(12-17-13)19-11-10-18-14-4-2-1-3-5-14/h1-7,12H,8-11,16H2.
What are the key properties of 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine?
2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine has a molecular weight of 258.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-phenoxyethoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 79799508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).