1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

C16H21FN2S — CID 79475888

IUPAC1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1F)N(C)CCc1cccs1
InChIInChI=1S/C16H21FN2S/c1-12(18)16(14-7-3-4-8-15(14)17)19(2)10-9-13-6-5-11-20-13/h3-8,11-12,16H,9-10,18H2,1-2H3
InChIKeyQEOAJVUVHFDBKT-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.45
Rot. Bonds6

About 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine

1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (PubChem CID 79475888) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
PubChem CID79475888
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
SMILESCC(N)C(c1ccccc1F)N(C)CCc1cccs1
InChIInChI=1S/C16H21FN2S/c1-12(18)16(14-7-3-4-8-15(14)17)19(2)10-9-13-6-5-11-20-13/h3-8,11-12,16H,9-10,18H2,1-2H3
InChIKeyQEOAJVUVHFDBKT-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-thiophen-3-yl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475669
1-(2-fluorophenyl)-2-methyl-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 115997187
1-N-methyl-1-(2-methylphenyl)-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472040
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
1-(4-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)butane-1,2-diamine
CID 79472689
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
1-[2-(methoxymethyl)phenyl]-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471274
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine (CID 79475888) is 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is CC(N)C(c1ccccc1F)N(C)CCc1cccs1.
What is the InChIKey of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
The InChIKey is QEOAJVUVHFDBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-12(18)16(14-7-3-4-8-15(14)17)19(2)10-9-13-6-5-11-20-13/h3-8,11-12,16H,9-10,18H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine?
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine has a molecular weight of 292.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 79475888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).