N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine

C16H22N2S — CID 79494864

IUPACN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
SMILESCNCc1ccc(CN(C)CCc2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-17-12-14-5-7-15(8-6-14)13-18(2)10-9-16-4-3-11-19-16/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKeySKISOIFVYOIZEW-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.14
Rot. Bonds7

About N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine

N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine (PubChem CID 79494864) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
PubChem CID79494864
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine
SMILESCNCc1ccc(CN(C)CCc2cccs2)cc1
InChIInChI=1S/C16H22N2S/c1-17-12-14-5-7-15(8-6-14)13-18(2)10-9-16-4-3-11-19-16/h3-8,11,17H,9-10,12-13H2,1-2H3
InChIKeySKISOIFVYOIZEW-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-thiophen-2-ylethanamine
CID 79494312
N-methyl-2-[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]ethanamine
CID 115464235
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
2-fluoro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]benzonitrile
CID 103758567
N'-[(4-chlorophenyl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62557056
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 62429055
N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62420227
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
N-methyl-2-phenyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 3065791
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine (CID 79494864) is N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine is CNCc1ccc(CN(C)CCc2cccs2)cc1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine?
The InChIKey is SKISOIFVYOIZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-17-12-14-5-7-15(8-6-14)13-18(2)10-9-16-4-3-11-19-16/h3-8,11,17H,9-10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine?
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79494864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).