N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

C13H17NS2 — CID 43534521

IUPACN-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1ccc(CNC(C)c2cccs2)s1
InChIInChI=1S/C13H17NS2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3
InChIKeyKHMUZTXUFGXDSE-UHFFFAOYSA-N
MW251.42 g/mol
LogP4.22
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine

N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 43534521) has the molecular formula C13H17NS2 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID43534521
Molecular FormulaC13H17NS2
Molecular Weight251.42 g/mol
Exact Mass251.08
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCCc1ccc(CNC(C)c2cccs2)s1
InChIInChI=1S/C13H17NS2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3
InChIKeyKHMUZTXUFGXDSE-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
1-(2,6-difluorophenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62346262
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 43534521) is N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is CCc1ccc(CNC(C)c2cccs2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is KHMUZTXUFGXDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS2/c1-3-11-6-7-12(16-11)9-14-10(2)13-5-4-8-15-13/h4-8,10,14H,3,9H2,1-2H3.
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 251.42 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 43534521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).