1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine

C9H13NOS — CID 105000773

IUPAC1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1sccc1OC
InChIInChI=1S/C9H13NOS/c1-4-7(10-2)9-8(11-3)5-6-12-9/h4-7,10H,1H2,2-3H3
InChIKeyYPBXXCHLXIWWDZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.20
Rot. Bonds4

About 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine

1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine (PubChem CID 105000773) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
PubChem CID105000773
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
SMILESC=CC(NC)c1sccc1OC
InChIInChI=1S/C9H13NOS/c1-4-7(10-2)9-8(11-3)5-6-12-9/h4-7,10H,1H2,2-3H3
InChIKeyYPBXXCHLXIWWDZ-UHFFFAOYSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
CID 105001098
1-(3-chlorothiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000642
1-cyclopropyl-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 104994165
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
1-(3-methoxythiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81126556
1-(3-methoxythiophen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794755
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
1-(4-chloro-2-methoxyphenyl)-N-methylprop-2-en-1-amine
CID 105000664
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
1-[5-(methoxymethyl)furan-2-yl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 113461762
1-(5-fluoro-2-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81127081

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine (CID 105000773) is 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine is C=CC(NC)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine?
The InChIKey is YPBXXCHLXIWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-4-7(10-2)9-8(11-3)5-6-12-9/h4-7,10H,1H2,2-3H3.
What are the key properties of 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine?
1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine has a molecular weight of 183.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 105000773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).