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

C14H17FN2S — CID 107556414

IUPAC2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCNCc1ccc(CN(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN2S/c1-16-9-11-7-8-12(18-11)10-17(2)14-6-4-3-5-13(14)15/h3-8,16H,9-10H2,1-2H3
InChIKeyUCDLUBCRNZVXSU-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.24
Rot. Bonds5

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

2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline (PubChem CID 107556414) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
PubChem CID107556414
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCNCc1ccc(CN(C)c2ccccc2F)s1
InChIInChI=1S/C14H17FN2S/c1-16-9-11-7-8-12(18-11)10-17(2)14-6-4-3-5-13(14)15/h3-8,16H,9-10H2,1-2H3
InChIKeyUCDLUBCRNZVXSU-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

2-fluoro-N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-methylaniline
CID 107454661
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
N-[[5-[(cyclopropylamino)methyl]thiophen-2-yl]methyl]-N,2-dimethylaniline
CID 107556404
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]pentan-3-amine
CID 107555940
2-fluoro-N-methyl-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]aniline
CID 62434557
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 107556485
2-fluoro-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62434727
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-2-methylsulfonylethanamine
CID 107557165
2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
N-[(2-fluorophenyl)methyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117804

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline?
The IUPAC name of 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline (CID 107556414) is 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline.
What is the SMILES notation for 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline?
The canonical SMILES for 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline is CNCc1ccc(CN(C)c2ccccc2F)s1.
What is the InChIKey of 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline?
The InChIKey is UCDLUBCRNZVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-16-9-11-7-8-12(18-11)10-17(2)14-6-4-3-5-13(14)15/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline?
2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]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 2-fluoro-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]aniline is sourced from PubChem (CID 107556414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).