N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine

C9H14FNS — CID 80694036

IUPACN-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCF)s1
InChIInChI=1S/C9H14FNS/c1-7-3-4-9(12-7)8(2)11-6-5-10/h3-4,8,11H,5-6H2,1-2H3
InChIKeyHJQNAZLTIRNGFS-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.68
Rot. Bonds4

About N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine

N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 80694036) has the molecular formula C9H14FNS and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID80694036
Molecular FormulaC9H14FNS
Molecular Weight187.28 g/mol
Exact Mass187.08
IUPAC NameN-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCF)s1
InChIInChI=1S/C9H14FNS/c1-7-3-4-9(12-7)8(2)11-6-5-10/h3-4,8,11H,5-6H2,1-2H3
InChIKeyHJQNAZLTIRNGFS-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
1-(5-chlorothiophen-2-yl)-N-(2-fluoroethyl)ethanamine
CID 80696138
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
CID 115891820
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62604800
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine (CID 80694036) is N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCCF)s1.
What is the InChIKey of N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is HJQNAZLTIRNGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNS/c1-7-3-4-9(12-7)8(2)11-6-5-10/h3-4,8,11H,5-6H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine?
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 187.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 80694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).