3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline

C14H17FN2S — CID 106530794

IUPAC3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCNCc1cc(F)cc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C14H17FN2S/c1-16-8-12-5-13(15)7-14(6-12)17(2)9-11-3-4-18-10-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyWUWJTHOKCXIZQN-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds5

About 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline

3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 106530794) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID106530794
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
SMILESCNCc1cc(F)cc(N(C)Cc2ccsc2)c1
InChIInChI=1S/C14H17FN2S/c1-16-8-12-5-13(15)7-14(6-12)17(2)9-11-3-4-18-10-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyWUWJTHOKCXIZQN-UHFFFAOYSA-N
XLogP3.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
2-chloro-N-methyl-4-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81148615
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
[3-fluoro-5-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]boronic acid
CID 79710128
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
3-fluoro-N-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106531044
[2-methyl-4-[methyl(thiophen-3-ylmethyl)amino]phenyl]methanol
CID 62134695
3-(chloromethyl)-5-fluoro-N-methyl-N-[(3-methylphenyl)methyl]aniline
CID 106530340

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline (CID 106530794) is 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline is CNCc1cc(F)cc(N(C)Cc2ccsc2)c1.
What is the InChIKey of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is WUWJTHOKCXIZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-16-8-12-5-13(15)7-14(6-12)17(2)9-11-3-4-18-10-11/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline?
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 106530794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).