N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine

C15H20N2S — CID 54980749

IUPACN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccccc1CN
InChIInChI=1S/C15H20N2S/c1-12(15-8-5-9-18-15)17(2)11-14-7-4-3-6-13(14)10-16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyLLIFNORPCZKTII-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.40
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine

N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 54980749) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
PubChem CID54980749
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
SMILESCC(c1cccs1)N(C)Cc1ccccc1CN
InChIInChI=1S/C15H20N2S/c1-12(15-8-5-9-18-15)17(2)11-14-7-4-3-6-13(14)10-16/h3-9,12H,10-11,16H2,1-2H3
InChIKeyLLIFNORPCZKTII-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]phenol
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(1S)-N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 27127618
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine (CID 54980749) is N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine is CC(c1cccs1)N(C)Cc1ccccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is LLIFNORPCZKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(15-8-5-9-18-15)17(2)11-14-7-4-3-6-13(14)10-16/h3-9,12H,10-11,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine?
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 54980749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).