5-methyl-2-(4-methylphenyl)-1H-indol-6-amine

C16H16N2 — CID 82389166

IUPAC5-methyl-2-(4-methylphenyl)-1H-indol-6-amine
SMILESCc1ccc(-c2cc3cc(C)c(N)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2/c1-10-3-5-12(6-4-10)15-8-13-7-11(2)14(17)9-16(13)18-15/h3-9,18H,17H2,1-2H3
InChIKeyBOJKCXKVKPXBIL-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.03
Rot. Bonds1

About 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine

5-methyl-2-(4-methylphenyl)-1H-indol-6-amine (PubChem CID 82389166) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-1H-indol-6-amine
PubChem CID82389166
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-methyl-2-(4-methylphenyl)-1H-indol-6-amine
SMILESCc1ccc(-c2cc3cc(C)c(N)cc3[nH]2)cc1
InChIInChI=1S/C16H16N2/c1-10-3-5-12(6-4-10)15-8-13-7-11(2)14(17)9-16(13)18-15/h3-9,18H,17H2,1-2H3
InChIKeyBOJKCXKVKPXBIL-UHFFFAOYSA-N
XLogP4.03
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
5-(5-chloro-1H-indol-2-yl)-2-methylaniline
CID 39358848
2-(3,4-dimethylphenyl)-5-methyl-1H-indole
CID 36688011
2-(4-tert-butylphenyl)-5-methyl-1H-indole
CID 36688009
6-fluoro-5-methyl-2-phenyl-1H-indole
CID 69096963
5,7-dimethyl-2-(4-methylphenyl)-1H-indole
CID 131886944
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
CID 19694484
5-methyl-2-(4-nitrophenyl)-1H-indole
CID 70116809
N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
5-bromo-2-(3-methylphenyl)-1H-indole
CID 131887155
6-(2-amino-1,5-dihydropyrrolo[2,3-f]indol-6-yl)-1,5-dihydropyrrolo[2,3-f]indol-2-amine
CID 163442884
2-methyl-4-(4-methylphenyl)aniline
CID 23005184

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine (CID 82389166) is 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine is Cc1ccc(-c2cc3cc(C)c(N)cc3[nH]2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine?
The InChIKey is BOJKCXKVKPXBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-10-3-5-12(6-4-10)15-8-13-7-11(2)14(17)9-16(13)18-15/h3-9,18H,17H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine?
5-methyl-2-(4-methylphenyl)-1H-indol-6-amine has a molecular weight of 236.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-1H-indol-6-amine is sourced from PubChem (CID 82389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).