2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine

C13H21NOS — CID 66026043

IUPAC2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(CCc2cccs2)CC1
InChIInChI=1S/C13H21NOS/c1-15-9-8-14-11-13(6-7-13)5-4-12-3-2-10-16-12/h2-3,10,14H,4-9,11H2,1H3
InChIKeyCKEHZNDIEQDROI-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.70
Rot. Bonds8

About 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine

2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine (PubChem CID 66026043) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
PubChem CID66026043
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1(CCc2cccs2)CC1
InChIInChI=1S/C13H21NOS/c1-15-9-8-14-11-13(6-7-13)5-4-12-3-2-10-16-12/h2-3,10,14H,4-9,11H2,1H3
InChIKeyCKEHZNDIEQDROI-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(thiophen-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 62725406
2-methoxy-N-[[4-(thiophen-2-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905761
N-[[3-(2-thiophen-2-ylethyl)oxan-3-yl]methyl]propan-1-amine
CID 63774465
N-[[1-(thiophen-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 62724982
2-[1-[(2-thiophen-2-ylethylamino)methyl]cyclopropyl]acetonitrile
CID 65480348
3-methoxy-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 60925441
2-methoxy-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026042
2-methoxy-N-[[4-(3-phenylpropyl)oxan-4-yl]methyl]ethanamine
CID 62906628
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
2-(2-methoxyethylamino)-N-(2-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687947
N-[(2-methylthiolan-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 80722611
N-[[4-(2-thiophen-2-ylethyl)oxan-4-yl]methyl]propan-2-amine
CID 63774106

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine (CID 66026043) is 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine is COCCNCC1(CCc2cccs2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is CKEHZNDIEQDROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-15-9-8-14-11-13(6-7-13)5-4-12-3-2-10-16-12/h2-3,10,14H,4-9,11H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-thiophen-2-ylethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 66026043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).