5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

C13H14FNS — CID 29269385

IUPAC5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C13H14FNS/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3-7,15H,8H2,1-2H3
InChIKeyRFBLLXYRTVCNNW-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.12
Rot. Bonds3

About 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 29269385) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID29269385
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC Name5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)ccc2C)s1
InChIInChI=1S/C13H14FNS/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3-7,15H,8H2,1-2H3
InChIKeyRFBLLXYRTVCNNW-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-fluoro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 43735120
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292
5-fluoro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941542
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43685252
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
5-fluoro-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63422974
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 29269385) is 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2cc(F)ccc2C)s1.
What is the InChIKey of 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is RFBLLXYRTVCNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-9-3-5-11(14)7-13(9)15-8-12-6-4-10(2)16-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 235.33 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 29269385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).