N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine

C14H16FNS — CID 114068507

IUPACN-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine
SMILESCCNC(C)c1ccc(F)cc1-c1cccs1
InChIInChI=1S/C14H16FNS/c1-3-16-10(2)12-7-6-11(15)9-13(12)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3
InChIKeyLTMAVXAZFWIVDC-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.22
Rot. Bonds4

About N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine

N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine (PubChem CID 114068507) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine
PubChem CID114068507
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC NameN-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine
SMILESCCNC(C)c1ccc(F)cc1-c1cccs1
InChIInChI=1S/C14H16FNS/c1-3-16-10(2)12-7-6-11(15)9-13(12)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3
InChIKeyLTMAVXAZFWIVDC-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[2-(5-fluoro-2-methylphenyl)phenyl]ethanamine
CID 54911658
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
2-(5-fluoro-2-methoxyphenyl)thiophene
CID 22723462
N-ethyl-1-[2-(2-methylthiophen-3-yl)phenyl]ethanamine
CID 102834416
N-ethyl-1-(2-ethylsulfanyl-5-fluorophenyl)ethanamine
CID 43286078
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
N-ethyl-1-(5-fluoro-2-pyrimidin-2-ylsulfanylphenyl)ethanamine
CID 43286467
1-[2-chloro-4-(2-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
CID 82782480
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[2-chloro-4-(2,4-difluorophenyl)phenyl]-N-ethylethanamine
CID 82783500
N-ethyl-1-[2-(2,4,5-trifluorophenyl)phenyl]ethanamine
CID 115503189
1-[4-fluoro-2-(3-methylthiophen-2-yl)phenyl]-N-methylethanamine
CID 114068567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine (CID 114068507) is N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine is CCNC(C)c1ccc(F)cc1-c1cccs1.
What is the InChIKey of N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine?
The InChIKey is LTMAVXAZFWIVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-16-10(2)12-7-6-11(15)9-13(12)14-5-4-8-17-14/h4-10,16H,3H2,1-2H3.
What are the key properties of N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine?
N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine has a molecular weight of 249.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-fluoro-2-thiophen-2-ylphenyl)ethanamine is sourced from PubChem (CID 114068507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).