2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine

C20H21N3O2 — CID 17213608

IUPAC2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(Oc3ncccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-18-8-6-16(7-9-18)10-13-21-15-17-4-2-5-19(14-17)25-20-22-11-3-12-23-20/h2-9,11-12,14,21H,10,13,15H2,1H3
InChIKeyLYRUWKAVUATNPS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.61
Rot. Bonds8

About 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine

2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine (PubChem CID 17213608) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
PubChem CID17213608
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cccc(Oc3ncccn3)c2)cc1
InChIInChI=1S/C20H21N3O2/c1-24-18-8-6-16(7-9-18)10-13-21-15-17-4-2-5-19(14-17)25-20-22-11-3-12-23-20/h2-9,11-12,14,21H,10,13,15H2,1H3
InChIKeyLYRUWKAVUATNPS-UHFFFAOYSA-N
XLogP3.61
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17210383
2-(cyclohexen-1-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine;hydrochloride
CID 17210382
2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-(1H-indol-3-yl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213616

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine (CID 17213608) is 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine is COc1ccc(CCNCc2cccc(Oc3ncccn3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is LYRUWKAVUATNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-18-8-6-16(7-9-18)10-13-21-15-17-4-2-5-19(14-17)25-20-22-11-3-12-23-20/h2-9,11-12,14,21H,10,13,15H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine?
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 335.41 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 17213608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).