2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine

C16H20N2O2 — CID 62598715

IUPAC2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(COCCNCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-6-4-14(5-7-16)13-20-10-9-18-12-15-3-2-8-17-11-15/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyLDAKLPQWAKDJBT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.40
Rot. Bonds8

About 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine

2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 62598715) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID62598715
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
SMILESCOc1ccc(COCCNCc2cccnc2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-16-6-4-14(5-7-16)13-20-10-9-18-12-15-3-2-8-17-11-15/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyLDAKLPQWAKDJBT-UHFFFAOYSA-N
XLogP2.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-[2-(2-butoxyethoxy)ethoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 104561604
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-(3,3-dimethylbutoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 66227318
2-(4-propoxyphenoxy)-N-(pyridin-3-ylmethyl)ethanamine
CID 60684620
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine (CID 62598715) is 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine is COc1ccc(COCCNCc2cccnc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is LDAKLPQWAKDJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-16-6-4-14(5-7-16)13-20-10-9-18-12-15-3-2-8-17-11-15/h2-8,11,18H,9-10,12-13H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine?
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 62598715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).