1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine

C15H17F2NOS — CID 61078567

IUPAC1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H17F2NOS/c1-2-18-13(9-11-7-8-20-10-11)12-5-3-4-6-14(12)19-15(16)17/h3-8,10,13,15,18H,2,9H2,1H3
InChIKeyFDPCHQISTOLCQV-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.24
Rot. Bonds7

About 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine

1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine (PubChem CID 61078567) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
PubChem CID61078567
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC Name1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1ccccc1OC(F)F
InChIInChI=1S/C15H17F2NOS/c1-2-18-13(9-11-7-8-20-10-11)12-5-3-4-6-14(12)19-15(16)17/h3-8,10,13,15,18H,2,9H2,1H3
InChIKeyFDPCHQISTOLCQV-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[2-(difluoromethoxy)phenyl]-2-ethoxy-N-ethylethanamine
CID 105008215
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-thiophen-3-ylethanamine
CID 65433257
1-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
1-[2-(difluoromethoxy)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 65150759
N-[1-(2-fluoro-3-methoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105174794
[2-thiophen-3-yl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105301456
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915
N-ethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-2-thiophen-3-ylethanamine
CID 102757512

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine (CID 61078567) is 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine?
The InChIKey is FDPCHQISTOLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-2-18-13(9-11-7-8-20-10-11)12-5-3-4-6-14(12)19-15(16)17/h3-8,10,13,15,18H,2,9H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine?
1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine has a molecular weight of 297.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-N-ethyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 61078567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).