[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine

C13H14FNS — CID 164918637

IUPAC[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine
SMILESCCc1ccc(-c2ccc(F)cc2CN)s1
InChIInChI=1S/C13H14FNS/c1-2-11-4-6-13(16-11)12-5-3-10(14)7-9(12)8-15/h3-7H,2,8,15H2,1H3
InChIKeyGJBXAEUAFQCJAY-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.58
Rot. Bonds3

About [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine

[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine (PubChem CID 164918637) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine
PubChem CID164918637
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine
SMILESCCc1ccc(-c2ccc(F)cc2CN)s1
InChIInChI=1S/C13H14FNS/c1-2-11-4-6-13(16-11)12-5-3-10(14)7-9(12)8-15/h3-7H,2,8,15H2,1H3
InChIKeyGJBXAEUAFQCJAY-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2-bromo-5-fluorophenyl)thiophen-2-yl]methanamine
CID 107626516
2-(2,4-dimethylphenyl)-5-ethylthiophene
CID 167264133
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)phenyl]methanamine
CID 134631525
N-[(2,5-difluorophenyl)methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 60957947
ethane;2-ethyl-5-(2-propylphenyl)thiophene
CID 164918955
[5-(2,3,5-trifluorophenyl)thiophen-2-yl]methanamine
CID 62813233
1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193
N-[[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287243
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022
[2-[2-(aminomethyl)-4-fluorophenyl]-3-methoxyphenyl]methanamine
CID 173141464

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine (CID 164918637) is [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine is CCc1ccc(-c2ccc(F)cc2CN)s1.
What is the InChIKey of [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine?
The InChIKey is GJBXAEUAFQCJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-2-11-4-6-13(16-11)12-5-3-10(14)7-9(12)8-15/h3-7H,2,8,15H2,1H3.
What are the key properties of [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine?
[2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine has a molecular weight of 235.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethylthiophen-2-yl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 164918637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).