2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine

C18H24N2 — CID 63466077

IUPAC2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(C)c(-n2c(C)cc3c2CCCC3N)c(C)c1
InChIInChI=1S/C18H24N2/c1-11-8-12(2)18(13(3)9-11)20-14(4)10-15-16(19)6-5-7-17(15)20/h8-10,16H,5-7,19H2,1-4H3
InChIKeyRTFOUVRECWODOD-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.05
Rot. Bonds1

About 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63466077) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63466077
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc(C)c(-n2c(C)cc3c2CCCC3N)c(C)c1
InChIInChI=1S/C18H24N2/c1-11-8-12(2)18(13(3)9-11)20-14(4)10-15-16(19)6-5-7-17(15)20/h8-10,16H,5-7,19H2,1-4H3
InChIKeyRTFOUVRECWODOD-UHFFFAOYSA-N
XLogP4.05
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63466077) is 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc(C)c(-n2c(C)cc3c2CCCC3N)c(C)c1.
What is the InChIKey of 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is RTFOUVRECWODOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-11-8-12(2)18(13(3)9-11)20-14(4)10-15-16(19)6-5-7-17(15)20/h8-10,16H,5-7,19H2,1-4H3.
What are the key properties of 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 268.40 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,4,6-trimethylphenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63466077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).