1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone

C17H18N2O — CID 104612277

IUPAC1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C17H18N2O/c1-11(20)16-10-15(7-8-17(16)18)19-14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,18H2,1H3
InChIKeyMJBCDBKROPDIQL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.70
Rot. Bonds3

About 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone

1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone (PubChem CID 104612277) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone
PubChem CID104612277
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone
SMILESCC(=O)c1cc(Nc2ccc3c(c2)CCC3)ccc1N
InChIInChI=1S/C17H18N2O/c1-11(20)16-10-15(7-8-17(16)18)19-14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,18H2,1H3
InChIKeyMJBCDBKROPDIQL-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone (CID 104612277) is 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone is CC(=O)c1cc(Nc2ccc3c(c2)CCC3)ccc1N.
What is the InChIKey of 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone?
The InChIKey is MJBCDBKROPDIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11(20)16-10-15(7-8-17(16)18)19-14-6-5-12-3-2-4-13(12)9-14/h5-10,19H,2-4,18H2,1H3.
What are the key properties of 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone?
1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)phenyl]ethanone is sourced from PubChem (CID 104612277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).