N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

C16H20ClFN2S — CID 43770187

IUPACN'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H20ClFN2S/c1-11(13-7-6-12(18)9-14(13)17)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3
InChIKeySNXJAMMAMUSFFP-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.49
Rot. Bonds6

About N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine

N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43770187) has the molecular formula C16H20ClFN2S and a molecular weight of 326.87 g/mol. Its IUPAC name is N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43770187
Molecular FormulaC16H20ClFN2S
Molecular Weight326.87 g/mol
Exact Mass326.10
IUPAC NameN'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCC(NCC(c1cccs1)N(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C16H20ClFN2S/c1-11(13-7-6-12(18)9-14(13)17)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3
InChIKeySNXJAMMAMUSFFP-UHFFFAOYSA-N
XLogP4.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine with MolForge

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Related Compounds

N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 93281096
N,N-dimethyl-N'-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylethane-1,2-diamine
CID 43770180
3-[1-(2-chloro-4-fluorophenyl)ethylamino]propane-1,2-diol
CID 66175056
N'-[(2,4-difluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43182595
2-[1-(2-chloro-4-fluorophenyl)ethylamino]-1-phenylethanol
CID 43776200
1-N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767797
1-(2,4-difluorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethanol
CID 81408093
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
N'-[(4-fluoro-2-methylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 62134219
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
2-[[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]amino]ethanol
CID 93286867
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60696935

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 43770187) is N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CC(NCC(c1cccs1)N(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is SNXJAMMAMUSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2S/c1-11(13-7-6-12(18)9-14(13)17)19-10-15(20(2)3)16-5-4-8-21-16/h4-9,11,15,19H,10H2,1-3H3.
What are the key properties of N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 326.87 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-chloro-4-fluorophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43770187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).