N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

C16H22N2S — CID 62421924

IUPACN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccsc2)c1
InChIInChI=1S/C16H22N2S/c1-3-17-10-14-5-4-6-15(9-14)11-18(2)12-16-7-8-19-13-16/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyPPAKJYCCZFSJBB-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.49
Rot. Bonds7

About N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine

N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (PubChem CID 62421924) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
PubChem CID62421924
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN(C)Cc2ccsc2)c1
InChIInChI=1S/C16H22N2S/c1-3-17-10-14-5-4-6-15(9-14)11-18(2)12-16-7-8-19-13-16/h4-9,13,17H,3,10-12H2,1-2H3
InChIKeyPPAKJYCCZFSJBB-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62422105
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528450
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62280809
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665581
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
2-ethoxy-N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 81068359
N-[[3-(ethylaminomethyl)phenyl]methyl]-N-methylpropan-2-amine
CID 62423900
2-chloro-N-cyclopropyl-4-(ethylaminomethyl)-N-(thiophen-3-ylmethyl)aniline
CID 81147081
N-cyclopropyl-4-(ethylaminomethyl)-2-fluoro-N-(thiophen-3-ylmethyl)aniline
CID 61434640
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine (CID 62421924) is N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is CCNCc1cccc(CN(C)Cc2ccsc2)c1.
What is the InChIKey of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
The InChIKey is PPAKJYCCZFSJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-17-10-14-5-4-6-15(9-14)11-18(2)12-16-7-8-19-13-16/h4-9,13,17H,3,10-12H2,1-2H3.
What are the key properties of N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine?
N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine has a molecular weight of 274.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(thiophen-3-ylmethyl)amino]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62421924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).