3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine

C15H22N2O — CID 170868097

IUPAC3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
SMILESCOCCn1c(C)c(CCCN)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-12-13(7-5-9-16)14-6-3-4-8-15(14)17(12)10-11-18-2/h3-4,6,8H,5,7,9-11,16H2,1-2H3
InChIKeyRTNVJIRYKHNIGG-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.49
Rot. Bonds6

About 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine

3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine (PubChem CID 170868097) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
PubChem CID170868097
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine
SMILESCOCCn1c(C)c(CCCN)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-12-13(7-5-9-16)14-6-3-4-8-15(14)17(12)10-11-18-2/h3-4,6,8H,5,7,9-11,16H2,1-2H3
InChIKeyRTNVJIRYKHNIGG-UHFFFAOYSA-N
XLogP2.49
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine?
The IUPAC name of 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine (CID 170868097) is 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine?
The canonical SMILES for 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine is COCCn1c(C)c(CCCN)c2ccccc21.
What is the InChIKey of 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine?
The InChIKey is RTNVJIRYKHNIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-13(7-5-9-16)14-6-3-4-8-15(14)17(12)10-11-18-2/h3-4,6,8H,5,7,9-11,16H2,1-2H3.
What are the key properties of 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine?
3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxyethyl)-2-methylindol-3-yl]propan-1-amine is sourced from PubChem (CID 170868097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).