2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine

C18H24N2 — CID 63466097

IUPAC2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cccc(C(C)C)c1)CCCC2N
InChIInChI=1S/C18H24N2/c1-12(2)14-6-4-7-15(11-14)20-13(3)10-16-17(19)8-5-9-18(16)20/h4,6-7,10-12,17H,5,8-9,19H2,1-3H3
InChIKeyDZCXAVPYYNYPMF-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.25
Rot. Bonds2

About 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine

2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine (PubChem CID 63466097) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
PubChem CID63466097
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine
SMILESCc1cc2c(n1-c1cccc(C(C)C)c1)CCCC2N
InChIInChI=1S/C18H24N2/c1-12(2)14-6-4-7-15(11-14)20-13(3)10-16-17(19)8-5-9-18(16)20/h4,6-7,10-12,17H,5,8-9,19H2,1-3H3
InChIKeyDZCXAVPYYNYPMF-UHFFFAOYSA-N
XLogP4.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.25
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-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The IUPAC name of 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine (CID 63466097) is 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine.
What is the SMILES notation for 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The canonical SMILES for 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine is Cc1cc2c(n1-c1cccc(C(C)C)c1)CCCC2N.
What is the InChIKey of 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
The InChIKey is DZCXAVPYYNYPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-12(2)14-6-4-7-15(11-14)20-13(3)10-16-17(19)8-5-9-18(16)20/h4,6-7,10-12,17H,5,8-9,19H2,1-3H3.
What are the key properties of 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine?
2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine has a molecular weight of 268.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-ylphenyl)-4,5,6,7-tetrahydroindol-4-amine is sourced from PubChem (CID 63466097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).