3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine

C15H16N2 — CID 174430796

IUPAC3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine
SMILES[H]/N=C1\CC(c2ccccc2)Cc2[nH]cc(C)c21
InChIInChI=1S/C15H16N2/c1-10-9-17-14-8-12(7-13(16)15(10)14)11-5-3-2-4-6-11/h2-6,9,12,16-17H,7-8H2,1H3/b16-13+
InChIKeyLDMOSDZHHGEESX-DTQAZKPQSA-N
MW224.31 g/mol
LogP3.42
Rot. Bonds1

About 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine

3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine (PubChem CID 174430796) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine.

Molecular Properties

Compound Name3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine
PubChem CID174430796
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine
SMILES[H]/N=C1\CC(c2ccccc2)Cc2[nH]cc(C)c21
InChIInChI=1S/C15H16N2/c1-10-9-17-14-8-12(7-13(16)15(10)14)11-5-3-2-4-6-11/h2-6,9,12,16-17H,7-8H2,1H3/b16-13+
InChIKeyLDMOSDZHHGEESX-DTQAZKPQSA-N
XLogP3.42
TPSA39.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
(-)-Agroclavine
CID 73484
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine?
The IUPAC name of 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine (CID 174430796) is 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine.
What is the SMILES notation for 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine?
The canonical SMILES for 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine is [H]/N=C1\CC(c2ccccc2)Cc2[nH]cc(C)c21.
What is the InChIKey of 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine?
The InChIKey is LDMOSDZHHGEESX-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H16N2/c1-10-9-17-14-8-12(7-13(16)15(10)14)11-5-3-2-4-6-11/h2-6,9,12,16-17H,7-8H2,1H3/b16-13+.
What are the key properties of 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine?
3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine has a molecular weight of 224.31 g/mol, XLogP of 3.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-1,5,6,7-tetrahydroindol-4-imine is sourced from PubChem (CID 174430796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).