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

C14H15F2NS — CID 82818791

IUPAC2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C14H15F2NS/c1-8-4-5-11(15)13(12(8)16)17-10(3)14-9(2)6-7-18-14/h4-7,10,17H,1-3H3
InChIKeyRKRMGHDPOJHBTF-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.82
Rot. Bonds3

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

2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (PubChem CID 82818791) 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-(3-methylthiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
PubChem CID82818791
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
SMILESCc1ccsc1C(C)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C14H15F2NS/c1-8-4-5-11(15)13(12(8)16)17-10(3)14-9(2)6-7-18-14/h4-7,10,17H,1-3H3
InChIKeyRKRMGHDPOJHBTF-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

2,3,4-trifluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993191
2,6-dichloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 83077042
2-bromo-4,6-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993019
5-fluoro-2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63993598
3-chloro-4-fluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 63992819
2,6-difluoro-3-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]aniline
CID 82818453
N-[1-(4-bromothiophen-2-yl)ethyl]-2,6-difluoro-3-methylaniline
CID 107354512
4-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)aniline
CID 63990811
4-bromo-2,5-difluoro-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 107609537
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
1-(2-fluorophenyl)-N-[1-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 63993264

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The IUPAC name of 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline (CID 82818791) is 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline is Cc1ccsc1C(C)Nc1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
The InChIKey is RKRMGHDPOJHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8-4-5-11(15)13(12(8)16)17-10(3)14-9(2)6-7-18-14/h4-7,10,17H,1-3H3.
What are the key properties of 2,6-difluoro-3-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]aniline?
2,6-difluoro-3-methyl-N-[1-(3-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-(3-methylthiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 82818791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).