(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone

C16H16N2O — CID 16794713

IUPAC(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)ccc1N
InChIInChI=1S/C16H16N2O/c1-11-10-13(6-7-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9,17H2,1H3
InChIKeyDRARRAKEZOPRFV-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.78
Rot. Bonds1

About (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone

(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone (PubChem CID 16794713) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
PubChem CID16794713
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
SMILESCc1cc(C(=O)N2CCc3ccccc32)ccc1N
InChIInChI=1S/C16H16N2O/c1-11-10-13(6-7-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9,17H2,1H3
InChIKeyDRARRAKEZOPRFV-UHFFFAOYSA-N
XLogP2.78
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
3-(2,3-dihydroindole-1-carbonyl)benzoic acid
CID 43452867
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107674453

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone (CID 16794713) is (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone is Cc1cc(C(=O)N2CCc3ccccc32)ccc1N.
What is the InChIKey of (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is DRARRAKEZOPRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-10-13(6-7-14(11)17)16(19)18-9-8-12-4-2-3-5-15(12)18/h2-7,10H,8-9,17H2,1H3.
What are the key properties of (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone?
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 16794713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).