N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

C15H17F2NS — CID 62604800

IUPACN-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCc2cc(F)cc(F)c2)s1
InChIInChI=1S/C15H17F2NS/c1-10-3-4-15(19-10)11(2)18-6-5-12-7-13(16)9-14(17)8-12/h3-4,7-9,11,18H,5-6H2,1-2H3
InChIKeyKTLAMNRAHVFTMH-UHFFFAOYSA-N
MW281.37 g/mol
LogP4.23
Rot. Bonds5

About N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine

N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 62604800) has the molecular formula C15H17F2NS and a molecular weight of 281.37 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID62604800
Molecular FormulaC15H17F2NS
Molecular Weight281.37 g/mol
Exact Mass281.10
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(C(C)NCCc2cc(F)cc(F)c2)s1
InChIInChI=1S/C15H17F2NS/c1-10-3-4-15(19-10)11(2)18-6-5-12-7-13(16)9-14(17)8-12/h3-4,7-9,11,18H,5-6H2,1-2H3
InChIKeyKTLAMNRAHVFTMH-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 62314433
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
1-(5-methylthiophen-2-yl)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 61218700
3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 61473463
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
1-(4-bromophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 63476814
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine (CID 62604800) is N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is Cc1ccc(C(C)NCCc2cc(F)cc(F)c2)s1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is KTLAMNRAHVFTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NS/c1-10-3-4-15(19-10)11(2)18-6-5-12-7-13(16)9-14(17)8-12/h3-4,7-9,11,18H,5-6H2,1-2H3.
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine?
N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 281.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 62604800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).