1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine

C15H17F3N2S — CID 80526342

IUPAC1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC(C)(CNc1ccc(N)cc1C(F)(F)F)c1cccs1
InChIInChI=1S/C15H17F3N2S/c1-14(2,13-4-3-7-21-13)9-20-12-6-5-10(19)8-11(12)15(16,17)18/h3-8,20H,9,19H2,1-2H3
InChIKeyAWWONHJNFODEBH-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.74
Rot. Bonds4

About 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 80526342) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID80526342
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC Name1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCC(C)(CNc1ccc(N)cc1C(F)(F)F)c1cccs1
InChIInChI=1S/C15H17F3N2S/c1-14(2,13-4-3-7-21-13)9-20-12-6-5-10(19)8-11(12)15(16,17)18/h3-8,20H,9,19H2,1-2H3
InChIKeyAWWONHJNFODEBH-UHFFFAOYSA-N
XLogP4.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
1-(2,5-Dimethylphenyl)-3-(thiophen-2-ylmethyl)thiourea
CID 2171389
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385
2-[2-(Ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261407
3-(trifluoromethyl)-N-[[5-[[3-(trifluoromethyl)anilino]methyl]thiophen-2-yl]methyl]aniline
CID 155517561
2-ethyl-N-[[5-[(2-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155525206
2-methyl-N-[[5-[(2-methylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155558860
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N-methylaniline
CID 10061927
4-methyl-N-[(thiophen-2-yl)methyl]aniline
CID 914053
3-ethyl-N-[[5-[(3-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155514419

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 80526342) is 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine is CC(C)(CNc1ccc(N)cc1C(F)(F)F)c1cccs1.
What is the InChIKey of 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is AWWONHJNFODEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-14(2,13-4-3-7-21-13)9-20-12-6-5-10(19)8-11(12)15(16,17)18/h3-8,20H,9,19H2,1-2H3.
What are the key properties of 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 314.38 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyl-2-thiophen-2-ylpropyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 80526342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).