N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine

C12H21NOS — CID 80728940

IUPACN-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COC(C)C)c(C)s1
InChIInChI=1S/C12H21NOS/c1-5-13-7-12-6-11(10(4)15-12)8-14-9(2)3/h6,9,13H,5,7-8H2,1-4H3
InChIKeyLAOYLADHXPCVRS-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.09
Rot. Bonds6

About N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 80728940) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID80728940
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COC(C)C)c(C)s1
InChIInChI=1S/C12H21NOS/c1-5-13-7-12-6-11(10(4)15-12)8-14-9(2)3/h6,9,13H,5,7-8H2,1-4H3
InChIKeyLAOYLADHXPCVRS-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine (CID 80728940) is N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1cc(COC(C)C)c(C)s1.
What is the InChIKey of N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is LAOYLADHXPCVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-13-7-12-6-11(10(4)15-12)8-14-9(2)3/h6,9,13H,5,7-8H2,1-4H3.
What are the key properties of N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 227.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(propan-2-yloxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 80728940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).