N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine

C15H18FNS — CID 79049374

IUPACN-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C15H18FNS/c1-4-17-11(3)14-5-6-15(18-14)12-7-10(2)8-13(16)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyQOQASNFIQKMHCA-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.53
Rot. Bonds4

About N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine

N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine (PubChem CID 79049374) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
PubChem CID79049374
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC NameN-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1
InChIInChI=1S/C15H18FNS/c1-4-17-11(3)14-5-6-15(18-14)12-7-10(2)8-13(16)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyQOQASNFIQKMHCA-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
1-[5-(2,5-dimethylphenyl)thiophen-2-yl]-N-ethylethanamine
CID 43287935
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-1-[5-(2,4,6-trichlorophenyl)thiophen-2-yl]ethanamine
CID 43288121
1-[5-(4-chloro-3-methoxyphenyl)thiophen-2-yl]-N-ethylethanamine
CID 107622673
1-[5-(3,5-difluorophenyl)thiophen-2-yl]-2-methylpropan-1-amine
CID 43154231
N-[[5-(3-bromo-5-methylphenyl)thiophen-2-yl]-cyclopropylmethyl]ethanamine
CID 107577053
1-[5-(3,5-dimethylphenyl)thiophen-2-yl]-N-propylbutan-1-amine
CID 43287958
N-ethyl-1-[5-[2-(trifluoromethyl)phenyl]thiophen-2-yl]ethanamine
CID 43287447
1-[5-(3,5-dichloro-4-fluorophenyl)thiophen-2-yl]-N-ethylpropan-1-amine
CID 107577037
1-[2-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]-N-ethylethanamine
CID 55102445

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine (CID 79049374) is N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine is CCNC(C)c1ccc(-c2cc(C)cc(F)c2)s1.
What is the InChIKey of N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine?
The InChIKey is QOQASNFIQKMHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-4-17-11(3)14-5-6-15(18-14)12-7-10(2)8-13(16)9-12/h5-9,11,17H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine?
N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 79049374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).