1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine

C20H20N2O2 — CID 70844613

IUPAC1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
SMILESCCn1c(C#Cc2ccc(OC)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C20H20N2O2/c1-4-22-18(12-7-14-5-8-15(23-2)9-6-14)20(21)17-11-10-16(24-3)13-19(17)22/h5-6,8-11,13H,4,21H2,1-3H3
InChIKeyGBFBUTPJWHONOX-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.66
Rot. Bonds3

About 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine

1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine (PubChem CID 70844613) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine.

Molecular Properties

Compound Name1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
PubChem CID70844613
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
SMILESCCn1c(C#Cc2ccc(OC)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C20H20N2O2/c1-4-22-18(12-7-14-5-8-15(23-2)9-6-14)20(21)17-11-10-16(24-3)13-19(17)22/h5-6,8-11,13H,4,21H2,1-3H3
InChIKeyGBFBUTPJWHONOX-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine?
The IUPAC name of 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine (CID 70844613) is 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine.
What is the SMILES notation for 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine?
The canonical SMILES for 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine is CCn1c(C#Cc2ccc(OC)cc2)c(N)c2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine?
The InChIKey is GBFBUTPJWHONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-22-18(12-7-14-5-8-15(23-2)9-6-14)20(21)17-11-10-16(24-3)13-19(17)22/h5-6,8-11,13H,4,21H2,1-3H3.
What are the key properties of 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine?
1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine has a molecular weight of 320.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine is sourced from PubChem (CID 70844613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).