1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

C17H22FNS — CID 105051012

IUPAC1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cc(C)c(C)s1
InChIInChI=1S/C17H22FNS/c1-5-19-16(17-9-11(2)13(4)20-17)10-14-6-7-15(18)8-12(14)3/h6-9,16,19H,5,10H2,1-4H3
InChIKeyDYDUOYZSRMVEHN-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.71
Rot. Bonds5

About 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine

1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 105051012) has the molecular formula C17H22FNS and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID105051012
Molecular FormulaC17H22FNS
Molecular Weight291.44 g/mol
Exact Mass291.15
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)c1cc(C)c(C)s1
InChIInChI=1S/C17H22FNS/c1-5-19-16(17-9-11(2)13(4)20-17)10-14-6-7-15(18)8-12(14)3/h6-9,16,19H,5,10H2,1-4H3
InChIKeyDYDUOYZSRMVEHN-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051066
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051139
N-[2-(2-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 115840336
2-(2-chloro-3-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105032393
2-(4-bromo-2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105037758
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105050942
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
1-(3,4-difluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347679
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051093
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051140
2-(2,3-dihydro-1H-inden-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 115864905

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine (CID 105051012) is 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is CCNC(Cc1ccc(F)cc1C)c1cc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is DYDUOYZSRMVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNS/c1-5-19-16(17-9-11(2)13(4)20-17)10-14-6-7-15(18)8-12(14)3/h6-9,16,19H,5,10H2,1-4H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine?
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105051012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).