2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine

C15H20N2O — CID 65481736

IUPAC2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine
SMILESCOc1ccc2c(ccn2CC2(CCN)CC2)c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)4-9-17(14)11-15(5-6-15)7-8-16/h2-4,9-10H,5-8,11,16H2,1H3
InChIKeyHWEGEAJQCCMOAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.78
Rot. Bonds5

About 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine

2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine (PubChem CID 65481736) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine
PubChem CID65481736
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine
SMILESCOc1ccc2c(ccn2CC2(CCN)CC2)c1
InChIInChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)4-9-17(14)11-15(5-6-15)7-8-16/h2-4,9-10H,5-8,11,16H2,1H3
InChIKeyHWEGEAJQCCMOAL-UHFFFAOYSA-N
XLogP2.78
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine?
The IUPAC name of 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine (CID 65481736) is 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine is COc1ccc2c(ccn2CC2(CCN)CC2)c1.
What is the InChIKey of 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine?
The InChIKey is HWEGEAJQCCMOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-18-13-2-3-14-12(10-13)4-9-17(14)11-15(5-6-15)7-8-16/h2-4,9-10H,5-8,11,16H2,1H3.
What are the key properties of 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine?
2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methoxyindol-1-yl)methyl]cyclopropyl]ethanamine is sourced from PubChem (CID 65481736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).