1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine

C19H19N3 — CID 130322174

IUPAC1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine
SMILESCc1cccc(C)c1-n1c(N)c(C)c2cn3ccccc3c21
InChIInChI=1S/C19H19N3/c1-12-7-6-8-13(2)17(12)22-18-15(14(3)19(22)20)11-21-10-5-4-9-16(18)21/h4-11H,20H2,1-3H3
InChIKeyWDDWPTMOEQLYMD-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.39
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine

1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine (PubChem CID 130322174) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine
PubChem CID130322174
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine
SMILESCc1cccc(C)c1-n1c(N)c(C)c2cn3ccccc3c21
InChIInChI=1S/C19H19N3/c1-12-7-6-8-13(2)17(12)22-18-15(14(3)19(22)20)11-21-10-5-4-9-16(18)21/h4-11H,20H2,1-3H3
InChIKeyWDDWPTMOEQLYMD-UHFFFAOYSA-N
XLogP4.39
TPSA35.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57469
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CID 11710453
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3-Amino-5-(2-diethylamino-ethyl)-5H-pyrido[4,3-b]indole-4-carbonitrile
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CID 23647186
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CID 44341253

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine (CID 130322174) is 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine is Cc1cccc(C)c1-n1c(N)c(C)c2cn3ccccc3c21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine?
The InChIKey is WDDWPTMOEQLYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-7-6-8-13(2)17(12)22-18-15(14(3)19(22)20)11-21-10-5-4-9-16(18)21/h4-11H,20H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine?
1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine has a molecular weight of 289.38 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-methylpyrrolo[2,3-a]indolizin-2-amine is sourced from PubChem (CID 130322174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).