4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine

C20H24N2 — CID 4033296

IUPAC4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3ccc(C)cc3c2CCCCN)cc1
InChIInChI=1S/C20H24N2/c1-14-6-9-16(10-7-14)20-17(5-3-4-12-21)18-13-15(2)8-11-19(18)22-20/h6-11,13,22H,3-5,12,21H2,1-2H3
InChIKeyBOHWMRLZGMYCFF-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.73
Rot. Bonds5

About 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine

4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine (PubChem CID 4033296) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
PubChem CID4033296
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
SMILESCc1ccc(-c2[nH]c3ccc(C)cc3c2CCCCN)cc1
InChIInChI=1S/C20H24N2/c1-14-6-9-16(10-7-14)20-17(5-3-4-12-21)18-13-15(2)8-11-19(18)22-20/h6-11,13,22H,3-5,12,21H2,1-2H3
InChIKeyBOHWMRLZGMYCFF-UHFFFAOYSA-N
XLogP4.73
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine (CID 4033296) is 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine is Cc1ccc(-c2[nH]c3ccc(C)cc3c2CCCCN)cc1.
What is the InChIKey of 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
The InChIKey is BOHWMRLZGMYCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-14-6-9-16(10-7-14)20-17(5-3-4-12-21)18-13-15(2)8-11-19(18)22-20/h6-11,13,22H,3-5,12,21H2,1-2H3.
What are the key properties of 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine?
4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4033296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).