N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline

C14H15F2NS — CID 61076982

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
SMILESCc1cc(C(C)Nc2cccc(F)c2F)c(C)s1
InChIInChI=1S/C14H15F2NS/c1-8-7-11(10(3)18-8)9(2)17-13-6-4-5-12(15)14(13)16/h4-7,9,17H,1-3H3
InChIKeyFWWRMALFQPADQZ-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline (PubChem CID 61076982) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
PubChem CID61076982
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
SMILESCc1cc(C(C)Nc2cccc(F)c2F)c(C)s1
InChIInChI=1S/C14H15F2NS/c1-8-7-11(10(3)18-8)9(2)17-13-6-4-5-12(15)14(13)16/h4-7,9,17H,1-3H3
InChIKeyFWWRMALFQPADQZ-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-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methylbenzenesulfonamide
CID 60933451
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]quinolin-8-amine
CID 43103063
2-chloro-6-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzenecarbothioamide
CID 62497175
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
2-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-3-fluorobenzoic acid
CID 107540043
1-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(2-fluorophenyl)urea
CID 38885273
2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099897
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoro-6-nitroaniline
CID 62531621

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline (CID 61076982) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline is Cc1cc(C(C)Nc2cccc(F)c2F)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline?
The InChIKey is FWWRMALFQPADQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-8-7-11(10(3)18-8)9(2)17-13-6-4-5-12(15)14(13)16/h4-7,9,17H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline 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 N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline is sourced from PubChem (CID 61076982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).