2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine

C12H21NOS — CID 102833855

IUPAC2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCCCC(OC)C(NC)c1ccsc1C
InChIInChI=1S/C12H21NOS/c1-5-6-11(14-4)12(13-3)10-7-8-15-9(10)2/h7-8,11-13H,5-6H2,1-4H3
InChIKeyMOVMEFQYSBCCQO-UHFFFAOYSA-N
MW227.37 g/mol
LogP3.13
Rot. Bonds6

About 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine

2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine (PubChem CID 102833855) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
PubChem CID102833855
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine
SMILESCCCC(OC)C(NC)c1ccsc1C
InChIInChI=1S/C12H21NOS/c1-5-6-11(14-4)12(13-3)10-7-8-15-9(10)2/h7-8,11-13H,5-6H2,1-4H3
InChIKeyMOVMEFQYSBCCQO-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102843058
N-methyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102831979
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
1-(2,4-dimethoxyphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718984
N-ethyl-2-methoxy-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 116719262
1-(4-tert-butylphenyl)-2-methoxy-N-methylpentan-1-amine
CID 116718735
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
1-isoquinolin-8-yl-2-methoxy-N-methylpentan-1-amine
CID 103143798
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
N-ethyl-2-methoxy-1-thiophen-3-ylpentan-1-amine
CID 116719131
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
N-[2,2-difluoro-1-(2-methylthiophen-3-yl)ethyl]propan-1-amine
CID 103517279

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine (CID 102833855) is 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine is CCCC(OC)C(NC)c1ccsc1C.
What is the InChIKey of 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine?
The InChIKey is MOVMEFQYSBCCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-5-6-11(14-4)12(13-3)10-7-8-15-9(10)2/h7-8,11-13H,5-6H2,1-4H3.
What are the key properties of 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine?
2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-(2-methylthiophen-3-yl)pentan-1-amine is sourced from PubChem (CID 102833855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).