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

C15H16ClF2NOS — CID 102976414

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NC(C)c1csc(Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16ClF2NOS/c1-9(19-10(2)12-7-14(16)21-8-12)11-4-3-5-13(6-11)20-15(17)18/h3-10,15,19H,1-2H3
InChIKeyKHLIOVMPZGCRIF-UHFFFAOYSA-N
MW331.82 g/mol
LogP5.41
Rot. Bonds6

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

N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (PubChem CID 102976414) has the molecular formula C15H16ClF2NOS and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
PubChem CID102976414
Molecular FormulaC15H16ClF2NOS
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
SMILESCC(NC(C)c1csc(Cl)c1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H16ClF2NOS/c1-9(19-10(2)12-7-14(16)21-8-12)11-4-3-5-13(6-11)20-15(17)18/h3-10,15,19H,1-2H3
InChIKeyKHLIOVMPZGCRIF-UHFFFAOYSA-N
XLogP5.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.82
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-yn-2-amine
CID 114415071
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-en-2-amine
CID 115727882
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 106041323
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
3-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanamide
CID 115676401
2-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476972
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83007352

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine (CID 102976414) is N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is CC(NC(C)c1csc(Cl)c1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
The InChIKey is KHLIOVMPZGCRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2NOS/c1-9(19-10(2)12-7-14(16)21-8-12)11-4-3-5-13(6-11)20-15(17)18/h3-10,15,19H,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine has a molecular weight of 331.82 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 102976414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).