2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine

C15H18FNOS — CID 10265619

IUPAC2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine
SMILESCOc1cc(CCNCCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FNOS/c1-18-15-10-13(11-19-15)7-9-17-8-6-12-2-4-14(16)5-3-12/h2-5,10-11,17H,6-9H2,1H3
InChIKeyWYKWOFSAUXYDQA-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.27
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine

2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine (PubChem CID 10265619) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine
PubChem CID10265619
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine
SMILESCOc1cc(CCNCCc2ccc(F)cc2)cs1
InChIInChI=1S/C15H18FNOS/c1-18-15-10-13(11-19-15)7-9-17-8-6-12-2-4-14(16)5-3-12/h2-5,10-11,17H,6-9H2,1H3
InChIKeyWYKWOFSAUXYDQA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 43431893
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60687515
2-(4-fluorophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112588597
N-[2-(4-fluorophenyl)ethyl]heptan-1-amine
CID 43129180
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
N-[2-(4-fluorophenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209362
1-[2-(4-fluorophenyl)ethylamino]butan-2-ol
CID 60886872
N-(2-ethylsulfonylethyl)-2-(4-fluorophenyl)ethanamine
CID 43807567
N-[(5-fluoro-2-methylphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 115967848
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 103953532
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine (CID 10265619) is 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine is COc1cc(CCNCCc2ccc(F)cc2)cs1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine?
The InChIKey is WYKWOFSAUXYDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-18-15-10-13(11-19-15)7-9-17-8-6-12-2-4-14(16)5-3-12/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine?
2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine has a molecular weight of 279.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(5-methoxythiophen-3-yl)ethyl]ethanamine is sourced from PubChem (CID 10265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).