1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine

C13H13ClFNS — CID 43427117

IUPAC1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-9(12-6-7-13(14)17-12)16-8-10-2-4-11(15)5-3-10/h2-7,9,16H,8H2,1H3
InChIKeyMDVRTKPJCOWJPL-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 43427117) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID43427117
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClFNS/c1-9(12-6-7-13(14)17-12)16-8-10-2-4-11(15)5-3-10/h2-7,9,16H,8H2,1H3
InChIKeyMDVRTKPJCOWJPL-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 43432653
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103775330
N-[(3-bromo-4-methylphenyl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 105401219
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
1-(5-chlorothiophen-2-yl)-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 43492060
1-(5-chlorothiophen-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 62125652
1-(5-chlorothiophen-2-yl)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]ethanamine
CID 43612762
1-(5-chlorothiophen-2-yl)-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 79978996
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
1-(5-chlorothiophen-2-yl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43427109

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 43427117) is 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine is CC(NCc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is MDVRTKPJCOWJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-9(12-6-7-13(14)17-12)16-8-10-2-4-11(15)5-3-10/h2-7,9,16H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 269.77 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43427117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).