7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine

C27H38N4O2 — CID 67973558

IUPAC7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine
SMILESCCOc1ccc(N)c2c(CC)c(C)[nH]c12.CCOc1ccc(N)c2c(CC)c(C)n(C)c12
InChIInChI=1S/C14H20N2O.C13H18N2O/c1-5-10-9(3)16(4)14-12(17-6-2)8-7-11(15)13(10)14;1-4-9-8(3)15-13-11(16-5-2)7-6-10(14)12(9)13/h7-8H,5-6,15H2,1-4H3;6-7,15H,4-5,14H2,1-3H3
InChIKeyJWRQBMZOGVVDTO-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.05
Rot. Bonds6

About 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine

7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine (PubChem CID 67973558) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine.

Molecular Properties

Compound Name7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine
PubChem CID67973558
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine
SMILESCCOc1ccc(N)c2c(CC)c(C)[nH]c12.CCOc1ccc(N)c2c(CC)c(C)n(C)c12
InChIInChI=1S/C14H20N2O.C13H18N2O/c1-5-10-9(3)16(4)14-12(17-6-2)8-7-11(15)13(10)14;1-4-9-8(3)15-13-11(16-5-2)7-6-10(14)12(9)13/h7-8H,5-6,15H2,1-4H3;6-7,15H,4-5,14H2,1-3H3
InChIKeyJWRQBMZOGVVDTO-UHFFFAOYSA-N
XLogP6.05
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine?
The IUPAC name of 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine (CID 67973558) is 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine.
What is the SMILES notation for 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine?
The canonical SMILES for 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine is CCOc1ccc(N)c2c(CC)c(C)[nH]c12.CCOc1ccc(N)c2c(CC)c(C)n(C)c12.
What is the InChIKey of 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine?
The InChIKey is JWRQBMZOGVVDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C13H18N2O/c1-5-10-9(3)16(4)14-12(17-6-2)8-7-11(15)13(10)14;1-4-9-8(3)15-13-11(16-5-2)7-6-10(14)12(9)13/h7-8H,5-6,15H2,1-4H3;6-7,15H,4-5,14H2,1-3H3.
What are the key properties of 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine?
7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine has a molecular weight of 450.63 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-ethyl-1,2-dimethylindol-4-amine;7-ethoxy-3-ethyl-2-methyl-1H-indol-4-amine is sourced from PubChem (CID 67973558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).