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

C14H15F3N2S — CID 61436608

IUPAC1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H15F3N2S/c1-2-19(9-11-4-3-7-20-11)13-6-5-10(8-12(13)18)14(15,16)17/h3-8H,2,9,18H2,1H3
InChIKeyGUESMAHNHCJVAF-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.38
Rot. Bonds4

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

1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 61436608) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID61436608
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCCN(Cc1cccs1)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C14H15F3N2S/c1-2-19(9-11-4-3-7-20-11)13-6-5-10(8-12(13)18)14(15,16)17/h3-8H,2,9,18H2,1H3
InChIKeyGUESMAHNHCJVAF-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 43527368
4-N-ethyl-4-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 61436657
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-[methyl(thiophen-2-ylmethyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 43527633
4-(difluoromethoxy)-2-N-ethyl-5-fluoro-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 63593671
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 107081323
2-[2-amino-N-ethyl-4-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 43588100
4-amino-3-[ethyl(thiophen-2-ylmethyl)amino]benzamide
CID 55190702
3-chloro-2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61436708
2-[2-amino-5-[ethyl(thiophen-2-ylmethyl)amino]phenyl]acetonitrile
CID 102624009
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 61436608) is 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine is CCN(Cc1cccs1)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is GUESMAHNHCJVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-2-19(9-11-4-3-7-20-11)13-6-5-10(8-12(13)18)14(15,16)17/h3-8H,2,9,18H2,1H3.
What are the key properties of 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 300.35 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(thiophen-2-ylmethyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 61436608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).