2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

C14H16F2N2S — CID 55229081

IUPAC2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCC(c1cccs1)N(C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H16F2N2S/c1-9(13-4-3-7-19-13)18(2)12-6-5-10(17)8-11(12)14(15)16/h3-9,14H,17H2,1-2H3
InChIKeyLADLFCPICNZWHF-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.47
Rot. Bonds4

About 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 55229081) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID55229081
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCC(c1cccs1)N(C)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H16F2N2S/c1-9(13-4-3-7-19-13)18(2)12-6-5-10(17)8-11(12)14(15)16/h3-9,14H,17H2,1-2H3
InChIKeyLADLFCPICNZWHF-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 55229081) is 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is CC(c1cccs1)N(C)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is LADLFCPICNZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-9(13-4-3-7-19-13)18(2)12-6-5-10(17)8-11(12)14(15)16/h3-9,14H,17H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 282.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 55229081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).