N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine

C11H17F3N2S — CID 103366231

IUPACN'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CC(CN)C(F)(F)F
InChIInChI=1S/C11H17F3N2S/c1-8(10-4-3-5-17-10)16(2)7-9(6-15)11(12,13)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyQARAJPQEOOMGDI-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.88
Rot. Bonds5

About N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine

N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 103366231) has the molecular formula C11H17F3N2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID103366231
Molecular FormulaC11H17F3N2S
Molecular Weight266.33 g/mol
Exact Mass266.11
IUPAC NameN'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine
SMILESCC(c1cccs1)N(C)CC(CN)C(F)(F)F
InChIInChI=1S/C11H17F3N2S/c1-8(10-4-3-5-17-10)16(2)7-9(6-15)11(12,13)14/h3-5,8-9H,6-7,15H2,1-2H3
InChIKeyQARAJPQEOOMGDI-UHFFFAOYSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(2-methylpropyl)-1-(1-thiophen-2-ylethyl)guanidine
CID 62364330
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
4-methoxy-1-N-methyl-1-N-(1-thiophen-2-ylethyl)butane-1,2-diamine
CID 62478000
4,4,4-trifluoro-3-[methyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 63068842
N-methyl-N-(1-thiophen-2-ylethyl)prop-2-yn-1-amine
CID 60699685
1-[(2-methylpropan-2-yl)oxy]-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 110882281
1-(tert-butylamino)-3-[methyl(1-thiophen-2-ylethyl)amino]propan-2-ol
CID 113317503
N',3,3-trimethyl-N'-(1-thiophen-2-ylethyl)hexane-1,6-diamine
CID 65295773
3-amino-N,2-dimethyl-N-(1-thiophen-2-ylethyl)propanamide
CID 62668726
N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 3842630
N-methyl-1-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 134793831
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 62431529

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine (CID 103366231) is N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine is CC(c1cccs1)N(C)CC(CN)C(F)(F)F.
What is the InChIKey of N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is QARAJPQEOOMGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2S/c1-8(10-4-3-5-17-10)16(2)7-9(6-15)11(12,13)14/h3-5,8-9H,6-7,15H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine?
N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 266.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)propane-1,3-diamine is sourced from PubChem (CID 103366231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).