N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine

C14H17FN2S — CID 115287798

IUPACN'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1cccs1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-2-17(12-6-3-5-11(15)9-12)10-13(16)14-7-4-8-18-14/h3-9,13H,2,10,16H2,1H3
InChIKeyAJQURAFJFIJWRA-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.41
Rot. Bonds5

About N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine

N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287798) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287798
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCCN(CC(N)c1cccs1)c1cccc(F)c1
InChIInChI=1S/C14H17FN2S/c1-2-17(12-6-3-5-11(15)9-12)10-13(16)14-7-4-8-18-14/h3-9,13H,2,10,16H2,1H3
InChIKeyAJQURAFJFIJWRA-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
N'-ethyl-N'-(2-methylphenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 113279380
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968
1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788
2-(4-fluoro-2-methylphenyl)-1-thiophen-2-ylethanamine
CID 114347626
1-(4-chlorophenyl)-N'-ethyl-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63493106
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-fluoroaniline
CID 63457156
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
N'-ethyl-N'-(3-fluorophenyl)but-2-ene-1,4-diamine
CID 77110788
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
CID 62428476

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine (CID 115287798) is N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine is CCN(CC(N)c1cccs1)c1cccc(F)c1.
What is the InChIKey of N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is AJQURAFJFIJWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-17(12-6-3-5-11(15)9-12)10-13(16)14-7-4-8-18-14/h3-9,13H,2,10,16H2,1H3.
What are the key properties of N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine?
N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).