6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine

C20H21N3 — CID 118656020

IUPAC6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine
SMILESCCc1ccc(-c2cc3cc4c(cc(N)n4C)cc3n2C)cc1
InChIInChI=1S/C20H21N3/c1-4-13-5-7-14(8-6-13)17-9-15-10-19-16(11-18(15)22(17)2)12-20(21)23(19)3/h5-12H,4,21H2,1-3H3
InChIKeyWWQCWWCOCXRVDX-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.48
Rot. Bonds2

About 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine

6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine (PubChem CID 118656020) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine
PubChem CID118656020
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine
SMILESCCc1ccc(-c2cc3cc4c(cc(N)n4C)cc3n2C)cc1
InChIInChI=1S/C20H21N3/c1-4-13-5-7-14(8-6-13)17-9-15-10-19-16(11-18(15)22(17)2)12-20(21)23(19)3/h5-12H,4,21H2,1-3H3
InChIKeyWWQCWWCOCXRVDX-UHFFFAOYSA-N
XLogP4.48
TPSA35.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine?
The IUPAC name of 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine (CID 118656020) is 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine.
What is the SMILES notation for 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine?
The canonical SMILES for 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine is CCc1ccc(-c2cc3cc4c(cc(N)n4C)cc3n2C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine?
The InChIKey is WWQCWWCOCXRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-4-13-5-7-14(8-6-13)17-9-15-10-19-16(11-18(15)22(17)2)12-20(21)23(19)3/h5-12H,4,21H2,1-3H3.
What are the key properties of 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine?
6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1,5-dimethylpyrrolo[2,3-f]indol-2-amine is sourced from PubChem (CID 118656020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).