4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline

C14H17FN2S — CID 115366924

IUPAC4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCN(CCc1cccs1)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H17FN2S/c1-17(7-6-13-3-2-8-18-13)12-5-4-11(10-16)14(15)9-12/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyDWKPVSANUSPJFI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.02
Rot. Bonds5

About 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline

4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 115366924) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID115366924
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCN(CCc1cccs1)c1ccc(CN)c(F)c1
InChIInChI=1S/C14H17FN2S/c1-17(7-6-13-3-2-8-18-13)12-5-4-11(10-16)14(15)9-12/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyDWKPVSANUSPJFI-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[methyl(2-thiophen-2-ylethyl)amino]benzoic acid
CID 113319885
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
3-bromo-4-(bromomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114060564
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
4-N,2-dimethyl-4-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79475986
1-N,4-dimethyl-1-N-(2-thiophen-2-ylethyl)benzene-1,3-diamine
CID 79475627
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N-methylaniline
CID 113295412
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
2-chloro-4-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79033362
4-(aminomethyl)-3-fluoro-N,N-dimethylaniline
CID 83383786
N-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79038374
N,3-dimethyl-4-(propylaminomethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 79488923

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 115366924) is 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline is CN(CCc1cccs1)c1ccc(CN)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is DWKPVSANUSPJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-17(7-6-13-3-2-8-18-13)12-5-4-11(10-16)14(15)9-12/h2-5,8-9H,6-7,10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 264.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 115366924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).