2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine

C16H20N2O — CID 107852157

IUPAC2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCOc1cccc(CCNCCc2ccccn2)c1
InChIInChI=1S/C16H20N2O/c1-19-16-7-4-5-14(13-16)8-11-17-12-9-15-6-2-3-10-18-15/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyGTYGPPOLBHZZGH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.46
Rot. Bonds7

About 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine

2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine (PubChem CID 107852157) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
PubChem CID107852157
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
SMILESCOc1cccc(CCNCCc2ccccn2)c1
InChIInChI=1S/C16H20N2O/c1-19-16-7-4-5-14(13-16)8-11-17-12-9-15-6-2-3-10-18-15/h2-7,10,13,17H,8-9,11-12H2,1H3
InChIKeyGTYGPPOLBHZZGH-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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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Related Compounds

1-[3-(3-methoxyphenyl)propyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111193839
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
3-chloro-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
CID 115215888
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
1-ethyl-2-[3-(3-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193842
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110971307
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703834
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
N-[2-(3-methoxyphenyl)ethyl]but-3-yn-1-amine
CID 103846287

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine (CID 107852157) is 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine is COc1cccc(CCNCCc2ccccn2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
The InChIKey is GTYGPPOLBHZZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-7-4-5-14(13-16)8-11-17-12-9-15-6-2-3-10-18-15/h2-7,10,13,17H,8-9,11-12H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine?
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine is sourced from PubChem (CID 107852157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).