(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone

C17H17NO — CID 67613124

IUPAC(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2CCC3N)cc1
InChIInChI=1S/C17H17NO/c1-11-5-7-12(8-6-11)17(19)15-4-2-3-14-13(15)9-10-16(14)18/h2-8,16H,9-10,18H2,1H3
InChIKeyADFNTOQIANWALM-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds2

About (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone

(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone (PubChem CID 67613124) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
PubChem CID67613124
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cccc3c2CCC3N)cc1
InChIInChI=1S/C17H17NO/c1-11-5-7-12(8-6-11)17(19)15-4-2-3-14-13(15)9-10-16(14)18/h2-8,16H,9-10,18H2,1H3
InChIKeyADFNTOQIANWALM-UHFFFAOYSA-N
XLogP3.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone?
The IUPAC name of (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone (CID 67613124) is (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cccc3c2CCC3N)cc1.
What is the InChIKey of (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone?
The InChIKey is ADFNTOQIANWALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-11-5-7-12(8-6-11)17(19)15-4-2-3-14-13(15)9-10-16(14)18/h2-8,16H,9-10,18H2,1H3.
What are the key properties of (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone?
(1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone has a molecular weight of 251.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2,3-dihydro-1H-inden-4-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 67613124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).