N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine

C12H21NO2S — CID 107558120

IUPACN-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCCOC(C)C)s1
InChIInChI=1S/C12H21NO2S/c1-10(2)15-7-6-14-9-12-5-4-11(16-12)8-13-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyMCTLKQGKGWWWAV-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.41
Rot. Bonds8

About N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine

N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558120) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
PubChem CID107558120
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COCCOC(C)C)s1
InChIInChI=1S/C12H21NO2S/c1-10(2)15-7-6-14-9-12-5-4-11(16-12)8-13-3/h4-5,10,13H,6-9H2,1-3H3
InChIKeyMCTLKQGKGWWWAV-UHFFFAOYSA-N
XLogP2.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.41
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

[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558122
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
CID 107559237
N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
CID 107558021
N,N,2-trimethyl-1-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]propan-2-amine
CID 107559092
N-[(5-methylthiophen-2-yl)methyl]-2-(2-propan-2-yloxyethoxy)ethanamine
CID 62570788
N-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-methyl-1-[3-(2-propan-2-yloxyethoxymethyl)-1-benzofuran-2-yl]methanamine
CID 62457094
1-[5-(cyclohexylmethoxymethyl)thiophen-2-yl]-N-methylmethanamine
CID 107558835
N-[[5-(octoxymethyl)thiophen-2-yl]methyl]propan-2-amine
CID 107558214

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine (CID 107558120) is N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine is CNCc1ccc(COCCOC(C)C)s1.
What is the InChIKey of N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
The InChIKey is MCTLKQGKGWWWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-10(2)15-7-6-14-9-12-5-4-11(16-12)8-13-3/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine has a molecular weight of 243.37 g/mol, XLogP of 2.41, 8 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-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).