N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine

C14H16FNOS — CID 60693945

IUPACN-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOc1ccccc1F)c1cccs1
InChIInChI=1S/C14H16FNOS/c1-11(14-7-4-10-18-14)16-8-9-17-13-6-3-2-5-12(13)15/h2-7,10-11,16H,8-9H2,1H3
InChIKeyVPTQQFGYEGIOAJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine

N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 60693945) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
PubChem CID60693945
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCOc1ccccc1F)c1cccs1
InChIInChI=1S/C14H16FNOS/c1-11(14-7-4-10-18-14)16-8-9-17-13-6-3-2-5-12(13)15/h2-7,10-11,16H,8-9H2,1H3
InChIKeyVPTQQFGYEGIOAJ-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.62
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-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
2-[2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]benzoic acid
CID 103257832
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959134
N-[2-(2-fluorophenoxy)ethyl]butan-2-amine
CID 2935869
(1S)-N-[2-(4-bromophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 81408946
1-thiophen-2-yl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]ethanamine
CID 66276843
N-[2-(3,4-dimethylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 55093036
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
2-[2-(2-fluorophenoxy)ethyl]thiophene
CID 64764713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine (CID 60693945) is N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine is CC(NCCOc1ccccc1F)c1cccs1.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is VPTQQFGYEGIOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-11(14-7-4-10-18-14)16-8-9-17-13-6-3-2-5-12(13)15/h2-7,10-11,16H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine has a molecular weight of 265.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 60693945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).