5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

C20H18N2 — CID 146388613

IUPAC5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(-c3ccccc3)c2)ccc2c1CCC2
InChIInChI=1S/C20H18N2/c21-20-17-8-4-7-14(17)9-10-18(20)16-11-12-22-19(13-16)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,21H2
InChIKeyKVIWZIHMPTVBDP-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.49
Rot. Bonds2

About 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine

5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (PubChem CID 146388613) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
PubChem CID146388613
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(-c3ccccc3)c2)ccc2c1CCC2
InChIInChI=1S/C20H18N2/c21-20-17-8-4-7-14(17)9-10-18(20)16-11-12-22-19(13-16)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,21H2
InChIKeyKVIWZIHMPTVBDP-UHFFFAOYSA-N
XLogP4.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine (CID 146388613) is 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccnc(-c3ccccc3)c2)ccc2c1CCC2.
What is the InChIKey of 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
The InChIKey is KVIWZIHMPTVBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-20-17-8-4-7-14(17)9-10-18(20)16-11-12-22-19(13-16)15-5-2-1-3-6-15/h1-3,5-6,9-13H,4,7-8,21H2.
What are the key properties of 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine?
5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine has a molecular weight of 286.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146388613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).