N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine

C13H13F2NS — CID 43490583

IUPACN-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NS/c1-2-16-13(12-4-3-7-17-12)10-6-5-9(14)8-11(10)15/h3-8,13,16H,2H2,1H3
InChIKeyVOYQSKJVSLCEBP-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.73
Rot. Bonds4

About N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine

N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine (PubChem CID 43490583) has the molecular formula C13H13F2NS and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
PubChem CID43490583
Molecular FormulaC13H13F2NS
Molecular Weight253.32 g/mol
Exact Mass253.07
IUPAC NameN-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
SMILESCCNC(c1cccs1)c1ccc(F)cc1F
InChIInChI=1S/C13H13F2NS/c1-2-16-13(12-4-3-7-17-12)10-6-5-9(14)8-11(10)15/h3-8,13,16H,2H2,1H3
InChIKeyVOYQSKJVSLCEBP-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490593
N-[(2-chloro-4,5-difluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 107476439
N-[(4-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43495934
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2,4-difluorophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43491063
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
N-[(3-bromo-5-fluorophenyl)-thiophen-2-ylmethyl]ethanamine
CID 43490530
N-[(2,4-difluorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43491057
N-[(2-fluoro-6-methoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 65432847
(R)-(2,4-difluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171218565

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine (CID 43490583) is N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine is CCNC(c1cccs1)c1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine?
The InChIKey is VOYQSKJVSLCEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NS/c1-2-16-13(12-4-3-7-17-12)10-6-5-9(14)8-11(10)15/h3-8,13,16H,2H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine?
N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)-thiophen-2-ylmethyl]ethanamine is sourced from PubChem (CID 43490583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).