N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

C15H17F2NS — CID 43488408

IUPACN-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17F2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyQFFXCMJTAGQUAN-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.29
Rot. Bonds5

About N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine

N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (PubChem CID 43488408) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
PubChem CID43488408
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccc(CC)s1
InChIInChI=1S/C15H17F2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3
InChIKeyQFFXCMJTAGQUAN-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
N-[(3-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 43494301
N-[(2-bromo-5-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488446
N-[(3-chloro-4-fluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 82875565
N-[(4-bromophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488443
N-[(5-ethylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115804512
N-[(3,5-difluorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 115851555
N-[(2,3-difluoro-4-methylphenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 107515354
N-[2,3-dihydro-1H-inden-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488394
N-[1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 63021107
N-[(4,5-dimethylthiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 65237749
[(5-ethylthiophen-2-yl)-(4-fluorophenyl)methyl]hydrazine
CID 105284022

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine (CID 43488408) is N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1ccc(CC)s1.
What is the InChIKey of N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
The InChIKey is QFFXCMJTAGQUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-3-13-5-6-14(19-13)15(18-4-2)10-7-11(16)9-12(17)8-10/h5-9,15,18H,3-4H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine?
N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 43488408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).