N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine

C13H14FNS — CID 43490593

IUPACN-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccccc1F
InChIInChI=1S/C13H14FNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-9,13,15H,2H2,1H3
InChIKeyKJWLJCQNIMOZJG-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.59
Rot. Bonds4

About N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine

N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43490593) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43490593
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccccc1F
InChIInChI=1S/C13H14FNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-9,13,15H,2H2,1H3
InChIKeyKJWLJCQNIMOZJG-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490583
N-[(2-chloro-4,5-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 107476439
N-[(2-iodo-3-methylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 114030052
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[(4-phenylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 43489570
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
N-ethyl-1-(2-fluorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 105119949

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine (CID 43490593) is N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is KJWLJCQNIMOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-2-15-13(12-8-5-9-16-12)10-6-3-4-7-11(10)14/h3-9,13,15H,2H2,1H3.
What are the key properties of N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 235.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43490593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).