N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine

C15H16ClF2NOS — CID 106041323

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCCc1ccc(Cl)s1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16ClF2NOS/c1-10(19-8-7-13-5-6-14(16)21-13)11-3-2-4-12(9-11)20-15(17)18/h2-6,9-10,15,19H,7-8H2,1H3
InChIKeyCGVGNLRGNUXLGJ-UHFFFAOYSA-N
MW331.82 g/mol
LogP4.90
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 106041323) has the molecular formula C15H16ClF2NOS and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID106041323
Molecular FormulaC15H16ClF2NOS
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NCCc1ccc(Cl)s1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16ClF2NOS/c1-10(19-8-7-13-5-6-14(16)21-13)11-3-2-4-12(9-11)20-15(17)18/h2-6,9-10,15,19H,7-8H2,1H3
InChIKeyCGVGNLRGNUXLGJ-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 112815867
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(3-nitrophenyl)ethanamine
CID 103716793
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 55097413
6-[1-[3-(difluoromethoxy)phenyl]ethylamino]hexan-1-ol
CID 103913178
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
2-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106042146
4-[1-[2-(5-chlorothiophen-2-yl)ethylamino]ethyl]-2-methoxyphenol
CID 106041991
N-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]ethyl]cyclopropanecarboxamide
CID 115706371
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 106041323) is N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is CC(NCCc1ccc(Cl)s1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is CGVGNLRGNUXLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NOS/c1-10(19-8-7-13-5-6-14(16)21-13)11-3-2-4-12(9-11)20-15(17)18/h2-6,9-10,15,19H,7-8H2,1H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 331.82 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 106041323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).