N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C12H17F3N2S — CID 107556124

IUPACN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCc1ccc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H17F3N2S/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyGBLXHBNXQWMJIP-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.99
Rot. Bonds6

About N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 107556124) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID107556124
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESCNCc1ccc(CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H17F3N2S/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h4-5,9,16H,2-3,6-8H2,1H3
InChIKeyGBLXHBNXQWMJIP-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-methylpropylamino)methyl]thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 107556125
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(3-methylbutyl)cyclopentanamine
CID 107557209
N-[[5-[[cyclopropyl(ethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107555832
N-[[2-(ethylaminomethyl)furan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 55073867
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
N-[[3-[(tert-butylamino)methyl]furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62427353
1-cyclohexyl-N-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]methanamine
CID 107555360
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-2-methylaniline
CID 55009014
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62428425
N-methyl-1-[5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107556696
N-[(2,6-dichloro-3-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 106993674

Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 107556124) is N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is CNCc1ccc(CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is GBLXHBNXQWMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-16-6-10-4-5-11(18-10)7-17(9-2-3-9)8-12(13,14)15/h4-5,9,16H,2-3,6-8H2,1H3.
What are the key properties of N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 278.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 107556124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).