5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

C20H22F2N2O — CID 146388632

IUPAC5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(OC3CCC(F)(F)CC3)c2)ccc2c1CCC2
InChIInChI=1S/C20H22F2N2O/c21-20(22)9-6-15(7-10-20)25-18-12-14(8-11-24-18)17-5-4-13-2-1-3-16(13)19(17)23/h4-5,8,11-12,15H,1-3,6-7,9-10,23H2
InChIKeyPDGQFQAHCIRQES-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.78
Rot. Bonds3

About 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine

5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 146388632) has the molecular formula C20H22F2N2O and a molecular weight of 344.40 g/mol. Its IUPAC name is 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound Name5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID146388632
Molecular FormulaC20H22F2N2O
Molecular Weight344.40 g/mol
Exact Mass344.17
IUPAC Name5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine
SMILESNc1c(-c2ccnc(OC3CCC(F)(F)CC3)c2)ccc2c1CCC2
InChIInChI=1S/C20H22F2N2O/c21-20(22)9-6-15(7-10-20)25-18-12-14(8-11-24-18)17-5-4-13-2-1-3-16(13)19(17)23/h4-5,8,11-12,15H,1-3,6-7,9-10,23H2
InChIKeyPDGQFQAHCIRQES-UHFFFAOYSA-N
XLogP4.78
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine (CID 146388632) is 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is Nc1c(-c2ccnc(OC3CCC(F)(F)CC3)c2)ccc2c1CCC2.
What is the InChIKey of 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is PDGQFQAHCIRQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O/c21-20(22)9-6-15(7-10-20)25-18-12-14(8-11-24-18)17-5-4-13-2-1-3-16(13)19(17)23/h4-5,8,11-12,15H,1-3,6-7,9-10,23H2.
What are the key properties of 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine?
5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 344.40 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluorocyclohexyl)oxy-4-pyridinyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 146388632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).