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

C14H15ClFNS — CID 43692550

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3
InChIKeyKWZBTEJUQMFWFL-UHFFFAOYSA-N
MW283.80 g/mol
LogP4.95
Rot. Bonds4

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 43692550) has the molecular formula C14H15ClFNS and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
PubChem CID43692550
Molecular FormulaC14H15ClFNS
Molecular Weight283.80 g/mol
Exact Mass283.06
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NC(C)c1ccccc1F)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClFNS/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3
InChIKeyKWZBTEJUQMFWFL-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 81377961
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
(1S)-N-[1-(2-fluorophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81375681
N-[1-(2,6-difluorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 60923909
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685388
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1R)-1-(3-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]ethanamine
CID 81365988

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine (CID 43692550) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine is CC(NC(C)c1ccccc1F)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is KWZBTEJUQMFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNS/c1-9(11-5-3-4-6-12(11)16)17-10(2)13-7-8-14(15)18-13/h3-10,17H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 283.80 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 43692550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).