2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

C13H13F2NS — CID 103585292

IUPAC2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)c(C)cc2F)s1
InChIInChI=1S/C13H13F2NS/c1-8-5-12(15)13(6-11(8)14)16-7-10-4-3-9(2)17-10/h3-6,16H,7H2,1-2H3
InChIKeyCOVFEBGBMOTDPG-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.26
Rot. Bonds3

About 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline

2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (PubChem CID 103585292) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
PubChem CID103585292
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC Name2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(F)c(C)cc2F)s1
InChIInChI=1S/C13H13F2NS/c1-8-5-12(15)13(6-11(8)14)16-7-10-4-3-9(2)17-10/h3-6,16H,7H2,1-2H3
InChIKeyCOVFEBGBMOTDPG-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-tert-butylthiophen-2-yl)methyl]-2,5-difluoro-4-methylaniline
CID 103584786
5-fluoro-2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 29269385
4-fluoro-3-[(5-methylthiophen-2-yl)methylamino]benzoic acid
CID 43728031
2,4-dimethyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28536769
2-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 28619767
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
6-fluoro-7-[(5-methylthiophen-2-yl)methylamino]-3,4-dihydro-2H-isoquinolin-1-one
CID 138047224
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 18778448
4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
N-(1,3-benzodioxol-5-ylmethyl)-2,5-difluoro-4-methylaniline
CID 103584645
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline (CID 103585292) is 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is Cc1ccc(CNc2cc(F)c(C)cc2F)s1.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
The InChIKey is COVFEBGBMOTDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-8-5-12(15)13(6-11(8)14)16-7-10-4-3-9(2)17-10/h3-6,16H,7H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline?
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline has a molecular weight of 253.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline is sourced from PubChem (CID 103585292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).