1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine

C14H15BrFNOS — CID 107716897

IUPAC1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cc(Br)cs2)cc1F
InChIInChI=1S/C14H15BrFNOS/c1-9(17-2)13-4-3-11(6-14(13)16)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeyLOJAVVVUARIJKL-UHFFFAOYSA-N
MW344.25 g/mol
LogP4.51
Rot. Bonds5

About 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine

1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine (PubChem CID 107716897) has the molecular formula C14H15BrFNOS and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
PubChem CID107716897
Molecular FormulaC14H15BrFNOS
Molecular Weight344.25 g/mol
Exact Mass343.00
IUPAC Name1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCc2cc(Br)cs2)cc1F
InChIInChI=1S/C14H15BrFNOS/c1-9(17-2)13-4-3-11(6-14(13)16)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3
InChIKeyLOJAVVVUARIJKL-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868415
2-methyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine;hydrochloride
CID 6460614
N-[5-bromo-2-(2-thienylmethoxy)benzyl]-2-methyl-2-propanamine hydrochloride
CID 2942052
2-(4-methoxyphenyl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4718431
(Tert-butyl){[4-(2-thienylmethoxy)phenyl]methyl}amine
CID 962152
N-[[5-bromo-2-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 1017023
1-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 23072538
(3-Fluoro-4-methoxyphenyl)-thiophen-3-ylmethanamine
CID 43474185
7-(3-Fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
CID 53706198
N-[(3-fluoro-4-methoxyphenyl)-thiophen-3-ylmethyl]carbamoyl chloride
CID 87619711
(4-Ethoxy-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 91302686
3-[4-[[benzyl(methyl)amino]methyl]-3-fluorophenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560030

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine (CID 107716897) is 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine is CNC(C)c1ccc(OCc2cc(Br)cs2)cc1F.
What is the InChIKey of 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
The InChIKey is LOJAVVVUARIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNOS/c1-9(17-2)13-4-3-11(6-14(13)16)18-7-12-5-10(15)8-19-12/h3-6,8-9,17H,7H2,1-2H3.
What are the key properties of 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine?
1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine has a molecular weight of 344.25 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromothiophen-2-yl)methoxy]-2-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 107716897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).