1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine

C12H19NO2S — CID 115752878

IUPAC1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOCC(NCc1ccc(OC)s1)C1CC1
InChIInChI=1S/C12H19NO2S/c1-14-8-11(9-3-4-9)13-7-10-5-6-12(15-2)16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3
InChIKeyHJSTZYDMFBXZHX-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.27
Rot. Bonds7

About 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine

1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine (PubChem CID 115752878) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
PubChem CID115752878
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
SMILESCOCC(NCc1ccc(OC)s1)C1CC1
InChIInChI=1S/C12H19NO2S/c1-14-8-11(9-3-4-9)13-7-10-5-6-12(15-2)16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3
InChIKeyHJSTZYDMFBXZHX-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-methoxy-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 104577717
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropylpropan-1-amine
CID 64917586
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
2-cyclobutyl-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115702786
(1R)-N-[(5-methoxythiophen-2-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 97228607
1-cyclopropyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 112705390
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
N-[(5-methoxythiophen-2-yl)methyl]hept-6-en-2-amine
CID 115908921
(2R)-1-methoxy-N-[(5-methylthiophen-2-yl)methyl]propan-2-amine
CID 28612946
2-ethyl-5-methoxythiophene
CID 59502951
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
CID 103992523
(1S)-1-cyclopropyl-2-methoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 97062742

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine (CID 115752878) is 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine is COCC(NCc1ccc(OC)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
The InChIKey is HJSTZYDMFBXZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-14-8-11(9-3-4-9)13-7-10-5-6-12(15-2)16-10/h5-6,9,11,13H,3-4,7-8H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine?
1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115752878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).