1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine

C13H12Cl2FNS — CID 103775330

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H12Cl2FNS/c1-8(11-6-12(14)18-13(11)15)17-7-9-2-4-10(16)5-3-9/h2-6,8,17H,7H2,1H3
InChIKeyJGQKYDYDAGNHPA-UHFFFAOYSA-N
MW304.22 g/mol
LogP5.04
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 103775330) has the molecular formula C13H12Cl2FNS and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID103775330
Molecular FormulaC13H12Cl2FNS
Molecular Weight304.22 g/mol
Exact Mass303.01
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1ccc(F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H12Cl2FNS/c1-8(11-6-12(14)18-13(11)15)17-7-9-2-4-10(16)5-3-9/h2-6,8,17H,7H2,1H3
InChIKeyJGQKYDYDAGNHPA-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43427117
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
1-(3-chloro-4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43200190
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
4-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]-3H-1,3-thiazol-2-one
CID 114181273
1-(2,5-dichlorothiophen-3-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 113262767
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 114180137

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine (CID 103775330) is 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine is CC(NCc1ccc(F)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is JGQKYDYDAGNHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNS/c1-8(11-6-12(14)18-13(11)15)17-7-9-2-4-10(16)5-3-9/h2-6,8,17H,7H2,1H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 304.22 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).