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

C16H16N2O2 — CID 107674453

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(N)cc32)ccc1O
InChIInChI=1S/C16H16N2O2/c1-10-8-12(3-5-15(10)19)16(20)18-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9,19H,6-7,17H2,1H3
InChIKeyDYSJRVMEPQGFDE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.49
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 107674453) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID107674453
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCc3ccc(N)cc32)ccc1O
InChIInChI=1S/C16H16N2O2/c1-10-8-12(3-5-15(10)19)16(20)18-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9,19H,6-7,17H2,1H3
InChIKeyDYSJRVMEPQGFDE-UHFFFAOYSA-N
XLogP2.49
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 62266720
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
CID 28776949
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
(3,4-dimethylphenyl)-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 51711520
(6-amino-2,3-dihydroindol-1-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 65205964
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 107674453) is (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCc3ccc(N)cc32)ccc1O.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is DYSJRVMEPQGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-8-12(3-5-15(10)19)16(20)18-7-6-11-2-4-13(17)9-14(11)18/h2-5,8-9,19H,6-7,17H2,1H3.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 107674453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).