4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline

C15H19FN2S — CID 80727150

IUPAC4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H19FN2S/c1-11-12(8-15(19-11)9-17-2)10-18(3)14-6-4-13(16)5-7-14/h4-8,17H,9-10H2,1-3H3
InChIKeyLFPOXFMPUMWOFM-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.55
Rot. Bonds5

About 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline

4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline (PubChem CID 80727150) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
PubChem CID80727150
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
SMILESCNCc1cc(CN(C)c2ccc(F)cc2)c(C)s1
InChIInChI=1S/C15H19FN2S/c1-11-12(8-15(19-11)9-17-2)10-18(3)14-6-4-13(16)5-7-14/h4-8,17H,9-10H2,1-3H3
InChIKeyLFPOXFMPUMWOFM-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
4-[(4-fluoro-N-methylanilino)methyl]-5-methylthiophene-2-carbohydrazide
CID 80734494
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N,2-dimethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]cyclohexan-1-amine
CID 80728304
4-fluoro-N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62436403
2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
CID 80728615
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436049
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The IUPAC name of 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline (CID 80727150) is 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline is CNCc1cc(CN(C)c2ccc(F)cc2)c(C)s1.
What is the InChIKey of 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The InChIKey is LFPOXFMPUMWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-11-12(8-15(19-11)9-17-2)10-18(3)14-6-4-13(16)5-7-14/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline is sourced from PubChem (CID 80727150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).