1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine

C15H18FNS — CID 42956478

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cccc(F)c2)c(C)s1
InChIInChI=1S/C15H18FNS/c1-10-7-15(12(3)18-10)11(2)17-9-13-5-4-6-14(16)8-13/h4-8,11,17H,9H2,1-3H3
InChIKeyLYMMQMFBIOQMEO-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.35
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine (PubChem CID 42956478) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine
PubChem CID42956478
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2cccc(F)c2)c(C)s1
InChIInChI=1S/C15H18FNS/c1-10-7-15(12(3)18-10)11(2)17-9-13-5-4-6-14(16)8-13/h4-8,11,17H,9H2,1-3H3
InChIKeyLYMMQMFBIOQMEO-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
Tifacogin
CID 961320
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
1-(Benzo[b]thiophen-2-yl)-N-methylmethanamine
CID 693141
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine (CID 42956478) is 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine is Cc1cc(C(C)NCc2cccc(F)c2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine?
The InChIKey is LYMMQMFBIOQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c1-10-7-15(12(3)18-10)11(2)17-9-13-5-4-6-14(16)8-13/h4-8,11,17H,9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 42956478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).