N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine

C16H24N2O — CID 98033031

IUPACN-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCCOc1ccc2[nH]c(C)c(CCNC(C)C)c2c1
InChIInChI=1S/C16H24N2O/c1-5-19-13-6-7-16-15(10-13)14(12(4)18-16)8-9-17-11(2)3/h6-7,10-11,17-18H,5,8-9H2,1-4H3
InChIKeyXIMFHQBORXUMHH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine

N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 98033031) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID98033031
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCCOc1ccc2[nH]c(C)c(CCNC(C)C)c2c1
InChIInChI=1S/C16H24N2O/c1-5-19-13-6-7-16-15(10-13)14(12(4)18-16)8-9-17-11(2)3/h6-7,10-11,17-18H,5,8-9H2,1-4H3
InChIKeyXIMFHQBORXUMHH-UHFFFAOYSA-N
XLogP3.42
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine (CID 98033031) is N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine is CCOc1ccc2[nH]c(C)c(CCNC(C)C)c2c1.
What is the InChIKey of N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is XIMFHQBORXUMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-5-19-13-6-7-16-15(10-13)14(12(4)18-16)8-9-17-11(2)3/h6-7,10-11,17-18H,5,8-9H2,1-4H3.
What are the key properties of N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethoxy-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 98033031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).