N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine

C13H23NOS — CID 107558021

IUPACN-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COC(C)CC(C)C)s1
InChIInChI=1S/C13H23NOS/c1-10(2)7-11(3)15-9-13-6-5-12(16-13)8-14-4/h5-6,10-11,14H,7-9H2,1-4H3
InChIKeyDYXCQMRWVVTLHX-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.42
Rot. Bonds7

About N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine

N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine (PubChem CID 107558021) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
PubChem CID107558021
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine
SMILESCNCc1ccc(COC(C)CC(C)C)s1
InChIInChI=1S/C13H23NOS/c1-10(2)7-11(3)15-9-13-6-5-12(16-13)8-14-4/h5-6,10-11,14H,7-9H2,1-4H3
InChIKeyDYXCQMRWVVTLHX-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(4-methylpentan-2-yloxymethyl)phenyl]methanamine
CID 62443917
N-methyl-1-[5-(2-propan-2-yloxyethoxymethyl)thiophen-2-yl]methanamine
CID 107558120
N-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169
N-[2-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 107559157
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
2-methyl-N-[[5-(methylaminomethyl)thiophen-2-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 107556095
2-methyl-N-[[5-(octan-2-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558196
1-[5-[(3,5-dimethoxyphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107558294
N,N,2-trimethyl-1-[[5-(methylaminomethyl)thiophen-2-yl]methoxy]propan-2-amine
CID 107559092
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
CID 107559237
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107559151

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine (CID 107558021) is N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine is CNCc1ccc(COC(C)CC(C)C)s1.
What is the InChIKey of N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine?
The InChIKey is DYXCQMRWVVTLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-10(2)7-11(3)15-9-13-6-5-12(16-13)8-14-4/h5-6,10-11,14H,7-9H2,1-4H3.
What are the key properties of N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine?
N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine has a molecular weight of 241.40 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(4-methylpentan-2-yloxymethyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 107558021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).