2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

C21H28N2O2 — CID 55378414

IUPAC2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2/c1-24-20-7-3-4-8-21(20)25-16-13-22-17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h3-4,7-12,22H,2,5-6,13-17H2,1H3
InChIKeyICTXLGSFSIWNHX-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.85
Rot. Bonds8

About 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (PubChem CID 55378414) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
PubChem CID55378414
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESCOc1ccccc1OCCNCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H28N2O2/c1-24-20-7-3-4-8-21(20)25-16-13-22-17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h3-4,7-12,22H,2,5-6,13-17H2,1H3
InChIKeyICTXLGSFSIWNHX-UHFFFAOYSA-N
XLogP3.85
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
CID 60676906
2-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378279
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
CID 94393323
2-methoxy-N-[(3-methoxy-4-piperidin-1-ylphenyl)methyl]ethanamine
CID 84754658
1-methoxy-4-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 103876281
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
2-methylsulfanyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 63001311

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (CID 55378414) is 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is COc1ccccc1OCCNCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is ICTXLGSFSIWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-20-7-3-4-8-21(20)25-16-13-22-17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h3-4,7-12,22H,2,5-6,13-17H2,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 340.47 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 55378414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).