1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine

C10H17NOS — CID 43177898

IUPAC1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1sccc1C
InChIInChI=1S/C10H17NOS/c1-8-4-5-13-10(8)6-11-9(2)7-12-3/h4-5,9,11H,6-7H2,1-3H3
InChIKeyBEEKIUDLHRXCSG-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.18
Rot. Bonds5

About 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine

1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine (PubChem CID 43177898) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine
PubChem CID43177898
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine
SMILESCOCC(C)NCc1sccc1C
InChIInChI=1S/C10H17NOS/c1-8-4-5-13-10(8)6-11-9(2)7-12-3/h4-5,9,11H,6-7H2,1-3H3
InChIKeyBEEKIUDLHRXCSG-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine (CID 43177898) is 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine is COCC(C)NCc1sccc1C.
What is the InChIKey of 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine?
The InChIKey is BEEKIUDLHRXCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-4-5-13-10(8)6-11-9(2)7-12-3/h4-5,9,11H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine?
1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 43177898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).