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

C16H21FN2S — CID 107556467

IUPAC3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2cccc(F)c2)s1
InChIInChI=1S/C16H21FN2S/c1-3-9-18-11-15-7-8-16(20-15)12-19(2)14-6-4-5-13(17)10-14/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyPAJKXEKTULKIJH-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.02
Rot. Bonds7

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

3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline (PubChem CID 107556467) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
PubChem CID107556467
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
SMILESCCCNCc1ccc(CN(C)c2cccc(F)c2)s1
InChIInChI=1S/C16H21FN2S/c1-3-9-18-11-15-7-8-16(20-15)12-19(2)14-6-4-5-13(17)10-14/h4-8,10,18H,3,9,11-12H2,1-2H3
InChIKeyPAJKXEKTULKIJH-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287183
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carboxylic acid
CID 55183444
5-[(3-fluoro-N-methylanilino)methyl]thiophene-2-carbohydrazide
CID 63583474
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435493
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
CID 107556468
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
N-ethyl-N-(3-fluorophenyl)-2-(propylaminomethyl)aniline
CID 63551209
3-fluoro-N-methyl-N-[[5-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62435483
4-chloro-N-(3-fluorophenyl)-N-methyl-2-(propylaminomethyl)aniline
CID 114850532

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline?
The IUPAC name of 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline (CID 107556467) is 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline is CCCNCc1ccc(CN(C)c2cccc(F)c2)s1.
What is the InChIKey of 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline?
The InChIKey is PAJKXEKTULKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-9-18-11-15-7-8-16(20-15)12-19(2)14-6-4-5-13(17)10-14/h4-8,10,18H,3,9,11-12H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline?
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline has a molecular weight of 292.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline is sourced from PubChem (CID 107556467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).