N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline

C17H24N2S — CID 107556468

IUPACN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCCNCc1ccc(CN(C)c2cc(C)cc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-5-18-11-16-6-7-17(20-16)12-19(4)15-9-13(2)8-14(3)10-15/h6-10,18H,5,11-12H2,1-4H3
InChIKeySPQOETRYUXCXIM-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.11
Rot. Bonds6

About N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline

N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline (PubChem CID 107556468) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
PubChem CID107556468
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCCNCc1ccc(CN(C)c2cc(C)cc(C)c2)s1
InChIInChI=1S/C17H24N2S/c1-5-18-11-16-6-7-17(20-16)12-19(4)15-9-13(2)8-14(3)10-15/h6-10,18H,5,11-12H2,1-4H3
InChIKeySPQOETRYUXCXIM-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-3-methylaniline
CID 107556069
5-[(N,3,5-trimethylanilino)methyl]thiophene-2-carboxylic acid
CID 63378033
N-[[5-(3,5-dimethylphenyl)thiophen-2-yl]methyl]ethanamine
CID 43287284
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107556200
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methylprop-2-en-1-amine
CID 107557297
N-ethyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107555656
3-fluoro-N-methyl-N-[[5-(propylaminomethyl)thiophen-2-yl]methyl]aniline
CID 107556467
N-[[5-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557224
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-methyl-3-methylsulfanylpropan-1-amine
CID 114238261
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethylaniline
CID 55193368
N-benzyl-N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107555559
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline (CID 107556468) is N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline is CCNCc1ccc(CN(C)c2cc(C)cc(C)c2)s1.
What is the InChIKey of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline?
The InChIKey is SPQOETRYUXCXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-18-11-16-6-7-17(20-16)12-19(4)15-9-13(2)8-14(3)10-15/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline?
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline has a molecular weight of 288.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 107556468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).