1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine

C14H16FNS — CID 115791857

IUPAC1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-3-10-7-8-17-14(10)13(16-2)11-5-4-6-12(15)9-11/h4-9,13,16H,3H2,1-2H3
InChIKeyAEQUINJHMDGBMR-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.76
Rot. Bonds4

About 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 115791857) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID115791857
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCc1ccsc1C(NC)c1cccc(F)c1
InChIInChI=1S/C14H16FNS/c1-3-10-7-8-17-14(10)13(16-2)11-5-4-6-12(15)9-11/h4-9,13,16H,3H2,1-2H3
InChIKeyAEQUINJHMDGBMR-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105018995
1-(3-ethylthiophen-2-yl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 105022948
N-[(3,5-difluorophenyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 115851656
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
1-(3-ethylthiophen-2-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798023
1-(3-ethylthiophen-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047457
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085
1-(4-butylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985540
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine
CID 105340477
N-[(3-fluorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115792372

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 115791857) is 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is CCc1ccsc1C(NC)c1cccc(F)c1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is AEQUINJHMDGBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c1-3-10-7-8-17-14(10)13(16-2)11-5-4-6-12(15)9-11/h4-9,13,16H,3H2,1-2H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 115791857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).