N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine

C13H23NO2S — CID 107559237

IUPACN-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCCOC(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)16-8-7-15-10-12-6-5-11(17-12)9-14-4/h5-6,14H,7-10H2,1-4H3
InChIKeyUDZPTWUJNOCPJA-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.80
Rot. Bonds7

About N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine

N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine (PubChem CID 107559237) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
PubChem CID107559237
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCCOC(C)(C)C)s1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)16-8-7-15-10-12-6-5-11(17-12)9-14-4/h5-6,14H,7-10H2,1-4H3
InChIKeyUDZPTWUJNOCPJA-UHFFFAOYSA-N
XLogP2.80
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120
2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
CID 112588661
N,N,2-trimethyl-1-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]propan-2-amine
CID 107559092
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
N-[[5-[2-(2-methoxyethoxy)ethoxymethyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107559260
1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
N-[[5-(propoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558267
[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558171
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
CID 107558021

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine (CID 107559237) is N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine is CNCc1ccc(COCCOC(C)(C)C)s1.
What is the InChIKey of N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine?
The InChIKey is UDZPTWUJNOCPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,3)16-8-7-15-10-12-6-5-11(17-12)9-14-4/h5-6,14H,7-10H2,1-4H3.
What are the key properties of N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine?
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine has a molecular weight of 257.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107559237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).