(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone

C17H16N2O — CID 65453793

IUPAC(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C17H16N2O/c1-10-4-6-15(18)13(7-10)17(20)14-9-19-16-8-11(2)3-5-12(14)16/h3-9,19H,18H2,1-2H3
InChIKeyBVWXTYLWKJFLBW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.60
Rot. Bonds2

About (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone

(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (PubChem CID 65453793) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
PubChem CID65453793
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
SMILESCc1ccc(N)c(C(=O)c2c[nH]c3cc(C)ccc23)c1
InChIInChI=1S/C17H16N2O/c1-10-4-6-15(18)13(7-10)17(20)14-9-19-16-8-11(2)3-5-12(14)16/h3-9,19H,18H2,1-2H3
InChIKeyBVWXTYLWKJFLBW-UHFFFAOYSA-N
XLogP3.60
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-methylphenyl)-(6-bromo-1H-indol-3-yl)methanone
CID 65455500
(4-amino-3-chlorophenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 82787189
(2-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 107981662
(2-amino-5-methylphenyl)-(4,6-dichloro-1H-indol-3-yl)methanone
CID 103428580
(5-amino-2,4-dimethylphenyl)-(5-methyl-1H-indol-3-yl)methanone
CID 102707031
(3-bromo-4-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 81472433
(5-bromofuran-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 43463712
(6-methyl-1H-indol-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 24823778
(6-methyl-1H-indol-3-yl)-pyridin-3-ylmethanone
CID 43341972
3-(2-amino-5-methylbenzoyl)-1H-indole-4-carbonitrile
CID 107919633
ethyl 2-(6-methyl-1H-indol-3-yl)-2-oxoacetate
CID 55017679
(2,4-dimethylphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163503

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone (CID 65453793) is (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is Cc1ccc(N)c(C(=O)c2c[nH]c3cc(C)ccc23)c1.
What is the InChIKey of (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
The InChIKey is BVWXTYLWKJFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-4-6-15(18)13(7-10)17(20)14-9-19-16-8-11(2)3-5-12(14)16/h3-9,19H,18H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone?
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone is sourced from PubChem (CID 65453793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).