[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine

C11H19NO2S — CID 107558122

IUPAC[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
SMILESCC(C)OCCOCc1ccc(CN)s1
InChIInChI=1S/C11H19NO2S/c1-9(2)14-6-5-13-8-11-4-3-10(7-12)15-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyNXALYGNWPOWNDV-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.15
Rot. Bonds7

About [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine

[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558122) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
PubChem CID107558122
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
SMILESCC(C)OCCOCc1ccc(CN)s1
InChIInChI=1S/C11H19NO2S/c1-9(2)14-6-5-13-8-11-4-3-10(7-12)15-11/h3-4,9H,5-8,12H2,1-2H3
InChIKeyNXALYGNWPOWNDV-UHFFFAOYSA-N
XLogP2.15
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.15
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-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 107557246
[2-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62457289
[5-(2,2-difluoroethoxymethyl)thiophen-2-yl]methanamine
CID 107559173
[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558171
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-ethyl-5-(propoxymethyl)thiophene
CID 54508933
[5-[(2-chlorophenyl)methoxymethyl]thiophen-2-yl]methanamine
CID 107558073
(5-butan-2-ylthiophen-2-yl)methanamine
CID 83827152
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
[4-[3-(2-propan-2-yloxyethoxy)propoxy]phenyl]methanamine
CID 43254235
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 107556230

Frequently Asked Questions

What is the IUPAC name of [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine (CID 107558122) is [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine is CC(C)OCCOCc1ccc(CN)s1.
What is the InChIKey of [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is NXALYGNWPOWNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-9(2)14-6-5-13-8-11-4-3-10(7-12)15-11/h3-4,9H,5-8,12H2,1-2H3.
What are the key properties of [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 229.34 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).