4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline

C13H14FNS — CID 115758186

IUPAC4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
SMILESCCc1ccc(NCc2ccsc2)cc1F
InChIInChI=1S/C13H14FNS/c1-2-11-3-4-12(7-13(11)14)15-8-10-5-6-16-9-10/h3-7,9,15H,2,8H2,1H3
InChIKeyLMRHSDDEJCIIEH-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.06
Rot. Bonds4

About 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline

4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline (PubChem CID 115758186) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
PubChem CID115758186
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline
SMILESCCc1ccc(NCc2ccsc2)cc1F
InChIInChI=1S/C13H14FNS/c1-2-11-3-4-12(7-13(11)14)15-8-10-5-6-16-9-10/h3-7,9,15H,2,8H2,1H3
InChIKeyLMRHSDDEJCIIEH-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 54864229
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
3-chloro-4-methylsulfanyl-N-(thiophen-3-ylmethyl)aniline
CID 115744205
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
N,2-dimethyl-5-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 43717517
N,N-dimethyl-2-[4-(thiophen-3-ylmethylamino)phenyl]acetamide
CID 43720754
3-methylsulfonyl-N-(thiophen-3-ylmethyl)aniline
CID 54861617
4-phenyl-N-(thiophen-3-ylmethyl)aniline
CID 43716853
4-(chloromethyl)-N-(thiophen-3-ylmethyl)aniline
CID 65025400
2,6-difluoro-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 63248075
1-N-ethyl-5-nitro-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80828818
3-bromo-4-nitro-N-(thiophen-3-ylmethyl)aniline
CID 82862423

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline (CID 115758186) is 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline is CCc1ccc(NCc2ccsc2)cc1F.
What is the InChIKey of 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is LMRHSDDEJCIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-2-11-3-4-12(7-13(11)14)15-8-10-5-6-16-9-10/h3-7,9,15H,2,8H2,1H3.
What are the key properties of 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline?
4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 235.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 115758186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).