1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

C16H21FN2S — CID 62643783

IUPAC1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-18-16(14-3-5-15(17)6-4-14)7-9-19(2)11-13-8-10-20-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3
InChIKeyUQULMPFHMXYIRT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine

1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (PubChem CID 62643783) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
PubChem CID62643783
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
SMILESCNC(CCN(C)Cc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2S/c1-18-16(14-3-5-15(17)6-4-14)7-9-19(2)11-13-8-10-20-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3
InChIKeyUQULMPFHMXYIRT-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
N'-methyl-1-phenyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612607
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62556925
2-[[3-(4-fluorophenyl)-3-(methylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643635
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
N,N'-dimethyl-N'-[(3-methylphenyl)methyl]-1-phenylpropane-1,3-diamine
CID 62613615
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
N'-ethyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 62645499

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine (CID 62643783) is 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is CNC(CCN(C)Cc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
The InChIKey is UQULMPFHMXYIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-18-16(14-3-5-15(17)6-4-14)7-9-19(2)11-13-8-10-20-12-13/h3-6,8,10,12,16,18H,7,9,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine?
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine has a molecular weight of 292.42 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 62643783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).