N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

C15H17F2NS — CID 43737410

IUPACN-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2c(F)cccc2F)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-9-7-12(11(3)19-9)10(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,10,18H,8H2,1-3H3
InChIKeyGELIMGVXZKCERR-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.49
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine

N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (PubChem CID 43737410) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
PubChem CID43737410
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
SMILESCc1cc(C(C)NCc2c(F)cccc2F)c(C)s1
InChIInChI=1S/C15H17F2NS/c1-9-7-12(11(3)19-9)10(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,10,18H,8H2,1-3H3
InChIKeyGELIMGVXZKCERR-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43432404
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(2,6-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952884
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-difluoroaniline
CID 61076982
2-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]aniline
CID 66418816
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43098513
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,2,2-trifluoroethanamine
CID 43200476
N-[(3,5-dichlorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 60790289
4-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]benzene-1,2-diol
CID 43432460
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
1-(2,5-dimethylthiophen-3-yl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415731

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine (CID 43737410) is N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is Cc1cc(C(C)NCc2c(F)cccc2F)c(C)s1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
The InChIKey is GELIMGVXZKCERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-9-7-12(11(3)19-9)10(2)18-8-13-14(16)5-4-6-15(13)17/h4-7,10,18H,8H2,1-3H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine?
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine is sourced from PubChem (CID 43737410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).