2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

C14H15F2NS — CID 82818453

IUPAC2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(F)ccc(C)c2F)s1
InChIInChI=1S/C14H15F2NS/c1-8-4-6-11(15)14(13(8)16)17-10(3)12-7-5-9(2)18-12/h4-7,10,17H,1-3H3
InChIKeyXRPZDACUQNTWBL-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.82
Rot. Bonds3

About 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline

2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (PubChem CID 82818453) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
PubChem CID82818453
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccc(C(C)Nc2c(F)ccc(C)c2F)s1
InChIInChI=1S/C14H15F2NS/c1-8-4-6-11(15)14(13(8)16)17-10(3)12-7-5-9(2)18-12/h4-7,10,17H,1-3H3
InChIKeyXRPZDACUQNTWBL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 62810732
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
2,3,5-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 55119065
4-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 43194697
2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 82818791
2,6-difluoro-3-methyl-N-(3-methylbutan-2-yl)aniline
CID 82818122
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
CID 82816580
2,4-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]-6-nitroaniline
CID 81310580
4-bromo-2,5-difluoro-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 107609300
3-fluoro-4-[1-(5-methylthiophen-2-yl)ethylamino]benzoic acid
CID 55108031
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82815461

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline (CID 82818453) is 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is Cc1ccc(C(C)Nc2c(F)ccc(C)c2F)s1.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is XRPZDACUQNTWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8-4-6-11(15)14(13(8)16)17-10(3)12-7-5-9(2)18-12/h4-7,10,17H,1-3H3.
What are the key properties of 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline?
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline has a molecular weight of 267.34 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 82818453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).