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

C15H19FN2S — CID 43182592

IUPACN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H19FN2S/c1-18(2)14(15-4-3-9-19-15)11-17-10-12-5-7-13(16)8-6-12/h3-9,14,17H,10-11H2,1-2H3
InChIKeyZKRNSVLBKASKBG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.28
Rot. Bonds6

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

N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 43182592) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
PubChem CID43182592
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C15H19FN2S/c1-18(2)14(15-4-3-9-19-15)11-17-10-12-5-7-13(16)8-6-12/h3-9,14,17H,10-11H2,1-2H3
InChIKeyZKRNSVLBKASKBG-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine (CID 43182592) is N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is CN(C)C(CNCc1ccc(F)cc1)c1cccs1.
What is the InChIKey of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is ZKRNSVLBKASKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-18(2)14(15-4-3-9-19-15)11-17-10-12-5-7-13(16)8-6-12/h3-9,14,17H,10-11H2,1-2H3.
What are the key properties of N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine?
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 278.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 43182592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).