N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine

C18H17FN2OS — CID 70077428

IUPACN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccs3)c2)cc1
InChIInChI=1S/C18H17FN2OS/c19-17-5-3-15(4-6-17)16-10-14(12-21-13-16)11-20-7-8-22-18-2-1-9-23-18/h1-6,9-10,12-13,20H,7-8,11H2
InChIKeyBSIASZNJNHFQDQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.12
Rot. Bonds7

About N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine

N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine (PubChem CID 70077428) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine
PubChem CID70077428
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC NameN-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine
SMILESFc1ccc(-c2cncc(CNCCOc3cccs3)c2)cc1
InChIInChI=1S/C18H17FN2OS/c19-17-5-3-15(4-6-17)16-10-14(12-21-13-16)11-20-7-8-22-18-2-1-9-23-18/h1-6,9-10,12-13,20H,7-8,11H2
InChIKeyBSIASZNJNHFQDQ-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.12
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-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine?
The IUPAC name of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine (CID 70077428) is N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine?
The canonical SMILES for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine is Fc1ccc(-c2cncc(CNCCOc3cccs3)c2)cc1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine?
The InChIKey is BSIASZNJNHFQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-17-5-3-15(4-6-17)16-10-14(12-21-13-16)11-20-7-8-22-18-2-1-9-23-18/h1-6,9-10,12-13,20H,7-8,11H2.
What are the key properties of N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine?
N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine has a molecular weight of 328.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-thiophen-2-yloxyethanamine is sourced from PubChem (CID 70077428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).