N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine

C14H16FNOS — CID 55093367

IUPACN-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESFc1cccc(OCCNCCc2ccsc2)c1
InChIInChI=1S/C14H16FNOS/c15-13-2-1-3-14(10-13)17-8-7-16-6-4-12-5-9-18-11-12/h1-3,5,9-11,16H,4,6-8H2
InChIKeyVITXOACRANCCTI-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.10
Rot. Bonds7

About N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine

N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine (PubChem CID 55093367) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
PubChem CID55093367
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
SMILESFc1cccc(OCCNCCc2ccsc2)c1
InChIInChI=1S/C14H16FNOS/c15-13-2-1-3-14(10-13)17-8-7-16-6-4-12-5-9-18-11-12/h1-3,5,9-11,16H,4,6-8H2
InChIKeyVITXOACRANCCTI-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine 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

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 63517711
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 114677020
2-(3-fluorophenoxy)-N-(2-methylsulfonylethyl)ethanamine
CID 62571065
N-[2-(2,3-dimethylphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 55088359
2-(3-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]ethanamine
CID 60697587
N-[2-(2-bromo-6-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 83140848
N-[2-(3-methoxyphenyl)sulfanylethyl]-2-thiophen-3-ylethanamine
CID 62582791
2-(3-fluorophenoxy)-N-[(3-methylphenyl)methyl]ethanamine
CID 39360189
N-[(4-tert-butylphenyl)methyl]-2-(3-fluorophenoxy)ethanamine
CID 39425418
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]-2-thiophen-3-ylethanamine
CID 107668711
N'-(3-methoxyphenyl)-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556181
3-propoxy-N-(2-thiophen-3-ylethyl)propan-1-amine
CID 82939993

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine (CID 55093367) is N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine is Fc1cccc(OCCNCCc2ccsc2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
The InChIKey is VITXOACRANCCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c15-13-2-1-3-14(10-13)17-8-7-16-6-4-12-5-9-18-11-12/h1-3,5,9-11,16H,4,6-8H2.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine?
N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 55093367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).