N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine

C21H20N2 — CID 46207514

IUPACN-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2ccc(NC3CCc4ccccc43)nc2)cc1
InChIInChI=1S/C21H20N2/c1-15-6-8-16(9-7-15)18-11-13-21(22-14-18)23-20-12-10-17-4-2-3-5-19(17)20/h2-9,11,13-14,20H,10,12H2,1H3,(H,22,23)
InChIKeyOKIRWMUSBROSBN-UHFFFAOYSA-N
MW300.41 g/mol
LogP5.16
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine

N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine (PubChem CID 46207514) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
PubChem CID46207514
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine
SMILESCc1ccc(-c2ccc(NC3CCc4ccccc43)nc2)cc1
InChIInChI=1S/C21H20N2/c1-15-6-8-16(9-7-15)18-11-13-21(22-14-18)23-20-12-10-17-4-2-3-5-19(17)20/h2-9,11,13-14,20H,10,12H2,1H3,(H,22,23)
InChIKeyOKIRWMUSBROSBN-UHFFFAOYSA-N
XLogP5.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine (CID 46207514) is N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine is Cc1ccc(-c2ccc(NC3CCc4ccccc43)nc2)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine?
The InChIKey is OKIRWMUSBROSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-15-6-8-16(9-7-15)18-11-13-21(22-14-18)23-20-12-10-17-4-2-3-5-19(17)20/h2-9,11,13-14,20H,10,12H2,1H3,(H,22,23).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine?
N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine has a molecular weight of 300.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-5-(4-methylphenyl)pyridin-2-amine is sourced from PubChem (CID 46207514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).