2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline

C13H14FNS — CID 115923359

IUPAC2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
SMILESCc1cccc(NC(C)c2ccsc2)c1F
InChIInChI=1S/C13H14FNS/c1-9-4-3-5-12(13(9)14)15-10(2)11-6-7-16-8-11/h3-8,10,15H,1-2H3
InChIKeyNGIKZBLODFNMQJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.37
Rot. Bonds3

About 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline

2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline (PubChem CID 115923359) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
PubChem CID115923359
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline
SMILESCc1cccc(NC(C)c2ccsc2)c1F
InChIInChI=1S/C13H14FNS/c1-9-4-3-5-12(13(9)14)15-10(2)11-6-7-16-8-11/h3-8,10,15H,1-2H3
InChIKeyNGIKZBLODFNMQJ-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62089841
2-bromo-3-fluoro-4-(1-thiophen-3-ylethylamino)benzoic acid
CID 107540257
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
5-bromo-2-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 62091558
N-(1-thiophen-3-ylethyl)aniline
CID 62090283
3,5-dichloro-4-fluoro-N-(1-thiophen-3-ylethyl)aniline
CID 107572860
2-(1-thiophen-3-ylethylamino)benzenecarbothioamide
CID 62843002
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-fluoro-3-methylaniline
CID 114254499
3-N-(1-thiophen-3-ylethyl)benzene-1,3-diamine
CID 62841671

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline?
The IUPAC name of 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline (CID 115923359) is 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline is Cc1cccc(NC(C)c2ccsc2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline?
The InChIKey is NGIKZBLODFNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-4-3-5-12(13(9)14)15-10(2)11-6-7-16-8-11/h3-8,10,15H,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline?
2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline has a molecular weight of 235.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(1-thiophen-3-ylethyl)aniline is sourced from PubChem (CID 115923359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).