N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine

C16H20N2O — CID 84599092

IUPACN-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCOCCNC(C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(18-10-11-19-2)14-5-7-15(8-6-14)16-4-3-9-17-12-16/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyFUXBILJIQAQPLB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.05
Rot. Bonds6

About N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine

N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine (PubChem CID 84599092) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine
PubChem CID84599092
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCOCCNC(C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C16H20N2O/c1-13(18-10-11-19-2)14-5-7-15(8-6-14)16-4-3-9-17-12-16/h3-9,12-13,18H,10-11H2,1-2H3
InChIKeyFUXBILJIQAQPLB-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine (CID 84599092) is N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine is COCCNC(C)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine?
The InChIKey is FUXBILJIQAQPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13(18-10-11-19-2)14-5-7-15(8-6-14)16-4-3-9-17-12-16/h3-9,12-13,18H,10-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine?
N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-pyridin-3-ylphenyl)ethanamine is sourced from PubChem (CID 84599092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).