1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine

C20H26N2 — CID 19087928

IUPAC1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine
SMILESCc1cc(C)c(C2(C)CC(C)(C)c3cc(N)ccc32)cc1N
InChIInChI=1S/C20H26N2/c1-12-8-13(2)18(22)10-16(12)20(5)11-19(3,4)17-9-14(21)6-7-15(17)20/h6-10H,11,21-22H2,1-5H3
InChIKeyRQLJHCRVLWHRBG-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.46
Rot. Bonds1

About 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine

1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine (PubChem CID 19087928) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine.

Molecular Properties

Compound Name1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine
PubChem CID19087928
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine
SMILESCc1cc(C)c(C2(C)CC(C)(C)c3cc(N)ccc32)cc1N
InChIInChI=1S/C20H26N2/c1-12-8-13(2)18(22)10-16(12)20(5)11-19(3,4)17-9-14(21)6-7-15(17)20/h6-10H,11,21-22H2,1-5H3
InChIKeyRQLJHCRVLWHRBG-UHFFFAOYSA-N
XLogP4.46
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine?
The IUPAC name of 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine (CID 19087928) is 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine.
What is the SMILES notation for 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine?
The canonical SMILES for 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine is Cc1cc(C)c(C2(C)CC(C)(C)c3cc(N)ccc32)cc1N.
What is the InChIKey of 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine?
The InChIKey is RQLJHCRVLWHRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-12-8-13(2)18(22)10-16(12)20(5)11-19(3,4)17-9-14(21)6-7-15(17)20/h6-10H,11,21-22H2,1-5H3.
What are the key properties of 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine?
1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine has a molecular weight of 294.44 g/mol, XLogP of 4.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,4-dimethylphenyl)-1,3,3-trimethyl-2H-inden-5-amine is sourced from PubChem (CID 19087928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).