1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

C13H21NOS — CID 115898820

IUPAC1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCOCC(NCCc1sccc1C)C1CC1
InChIInChI=1S/C13H21NOS/c1-10-6-8-16-13(10)5-7-14-12(9-15-2)11-3-4-11/h6,8,11-12,14H,3-5,7,9H2,1-2H3
InChIKeyRCFAWICASWLYJH-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.61
Rot. Bonds7

About 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine

1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 115898820) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID115898820
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
SMILESCOCC(NCCc1sccc1C)C1CC1
InChIInChI=1S/C13H21NOS/c1-10-6-8-16-13(10)5-7-14-12(9-15-2)11-3-4-11/h6,8,11-12,14H,3-5,7,9H2,1-2H3
InChIKeyRCFAWICASWLYJH-UHFFFAOYSA-N
XLogP2.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-methyl-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 115712849
3-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898789
2-amino-3-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
CID 120993978
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722150
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 4720503
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
4-N-[2-(3-methylthiophen-2-yl)ethyl]cyclohexane-1,4-diamine
CID 115149897
4,4,4-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115898814
N-[2-(3-methylthiophen-2-yl)ethyl]oxan-4-amine
CID 115897898
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine (CID 115898820) is 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is COCC(NCCc1sccc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is RCFAWICASWLYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10-6-8-16-13(10)5-7-14-12(9-15-2)11-3-4-11/h6,8,11-12,14H,3-5,7,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine?
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115898820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).