N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine

C10H15NOS — CID 105001098

IUPACN-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1sccc1OC
InChIInChI=1S/C10H15NOS/c1-4-8(11-5-2)10-9(12-3)6-7-13-10/h4,6-8,11H,1,5H2,2-3H3
InChIKeyWKAUCRIZFCOXQX-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.59
Rot. Bonds5

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

N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine (PubChem CID 105001098) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
PubChem CID105001098
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC NameN-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
SMILESC=CC(NCC)c1sccc1OC
InChIInChI=1S/C10H15NOS/c1-4-8(11-5-2)10-9(12-3)6-7-13-10/h4,6-8,11H,1,5H2,2-3H3
InChIKeyWKAUCRIZFCOXQX-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.59
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

1-(3-methoxythiophen-2-yl)-N-methylprop-2-en-1-amine
CID 105000773
N-ethyl-1-(3-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 105000819
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847088
1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
N-[(5-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81128008
N-[(2-methoxy-5-methylphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 81127182
2-(3-chlorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 81122564
N-[(4-chloro-3-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 105007145
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-methoxythiophen-2-yl)ethanamine
CID 115843885
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997997
N-[(2,3-dichlorophenyl)-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115851457
N-[(3-methoxythiophen-2-yl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 105052701

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine (CID 105001098) is N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine is C=CC(NCC)c1sccc1OC.
What is the InChIKey of N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine?
The InChIKey is WKAUCRIZFCOXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-4-8(11-5-2)10-9(12-3)6-7-13-10/h4,6-8,11H,1,5H2,2-3H3.
What are the key properties of N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine?
N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine has a molecular weight of 197.30 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 105001098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).