2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine

C16H20N2O — CID 103913604

IUPAC2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCOCC(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-19-13-16(15-7-3-2-4-8-15)18-11-9-14-6-5-10-17-12-14/h2-8,10,12,16,18H,9,11,13H2,1H3
InChIKeyWULMRHUPYSCDNG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.60
Rot. Bonds7

About 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine

2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine (PubChem CID 103913604) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
PubChem CID103913604
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine
SMILESCOCC(NCCc1cccnc1)c1ccccc1
InChIInChI=1S/C16H20N2O/c1-19-13-16(15-7-3-2-4-8-15)18-11-9-14-6-5-10-17-12-14/h2-8,10,12,16,18H,9,11,13H2,1H3
InChIKeyWULMRHUPYSCDNG-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
1-phenyl-N-propyl-4-pyridin-3-ylbutan-1-amine
CID 104737019
1-(4-ethylphenyl)-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 60913064
4-[1-(2-pyridin-3-ylethylamino)propyl]phenol
CID 60893733
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
1-[(1S)-1-(4-chlorophenyl)-2-methoxyethyl]-3-(2-pyridin-3-ylethyl)urea
CID 99840706
N-(2-methoxy-1-phenylethyl)-4-methylpyridin-3-amine
CID 103464259
N',N',N",N"-tetramethyl-N-(2-pyridin-3-ylethyl)methanetriamine
CID 69260242
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
(2R)-2-amino-2-phenyl-N-(2-pyridin-3-ylethyl)acetamide
CID 61177946
(1R)-1-(3-bromophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 81382701
6-[(2-methoxy-1-phenylethyl)amino]hexan-1-ol
CID 103913633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine?
The IUPAC name of 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine (CID 103913604) is 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine.
What is the SMILES notation for 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine?
The canonical SMILES for 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine is COCC(NCCc1cccnc1)c1ccccc1.
What is the InChIKey of 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine?
The InChIKey is WULMRHUPYSCDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-13-16(15-7-3-2-4-8-15)18-11-9-14-6-5-10-17-12-14/h2-8,10,12,16,18H,9,11,13H2,1H3.
What are the key properties of 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine?
2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyl-N-(2-pyridin-3-ylethyl)ethanamine is sourced from PubChem (CID 103913604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).