1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

C13H14F2N2S — CID 61437248

IUPAC1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCCN(Cc1cccs1)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H14F2N2S/c1-2-17(8-10-4-3-5-18-10)13-11(14)6-9(16)7-12(13)15/h3-7H,2,8,16H2,1H3
InChIKeyQFDHWHBXWHVBRI-UHFFFAOYSA-N
MW268.33 g/mol
LogP3.63
Rot. Bonds4

About 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine

1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (PubChem CID 61437248) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
PubChem CID61437248
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC Name1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
SMILESCCN(Cc1cccs1)c1c(F)cc(N)cc1F
InChIInChI=1S/C13H14F2N2S/c1-2-17(8-10-4-3-5-18-10)13-11(14)6-9(16)7-12(13)15/h3-7H,2,8,16H2,1H3
InChIKeyQFDHWHBXWHVBRI-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
4-[ethyl(thiophen-2-ylmethyl)amino]-2-fluorobenzenecarbothioamide
CID 115368028
4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 63593671
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61436608
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine (CID 61437248) is 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is CCN(Cc1cccs1)c1c(F)cc(N)cc1F.
What is the InChIKey of 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
The InChIKey is QFDHWHBXWHVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c1-2-17(8-10-4-3-5-18-10)13-11(14)6-9(16)7-12(13)15/h3-7H,2,8,16H2,1H3.
What are the key properties of 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine?
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine has a molecular weight of 268.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 61437248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).