N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine

C18H16Cl2N2O2 — CID 66526053

IUPACN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1cc(Cl)cc(-c2ccc(CNCCOc3ccccn3)o2)c1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-9-13(10-15(20)11-14)17-5-4-16(24-17)12-21-7-8-23-18-3-1-2-6-22-18/h1-6,9-11,21H,7-8,12H2
InChIKeyWPKLCYXDFFSNBO-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.82
Rot. Bonds7

About N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine

N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine (PubChem CID 66526053) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
PubChem CID66526053
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC NameN-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
SMILESClc1cc(Cl)cc(-c2ccc(CNCCOc3ccccn3)o2)c1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-9-13(10-15(20)11-14)17-5-4-16(24-17)12-21-7-8-23-18-3-1-2-6-22-18/h1-6,9-11,21H,7-8,12H2
InChIKeyWPKLCYXDFFSNBO-UHFFFAOYSA-N
XLogP4.82
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The IUPAC name of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine (CID 66526053) is N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine.
What is the SMILES notation for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The canonical SMILES for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine is Clc1cc(Cl)cc(-c2ccc(CNCCOc3ccccn3)o2)c1.
What is the InChIKey of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
The InChIKey is WPKLCYXDFFSNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-9-13(10-15(20)11-14)17-5-4-16(24-17)12-21-7-8-23-18-3-1-2-6-22-18/h1-6,9-11,21H,7-8,12H2.
What are the key properties of N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine?
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine has a molecular weight of 363.24 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine is sourced from PubChem (CID 66526053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).