1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine

C27H28F2N2O — CID 91380197

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28F2N2O/c28-23-12-8-21(9-13-23)27(22-10-14-24(29)15-11-22)7-4-18-31-19-16-25(17-20-31)30-32-26-5-2-1-3-6-26/h1-3,5-6,8-16,27,30H,4,7,17-20H2
InChIKeyQJSOXHGRFGDLIV-UHFFFAOYSA-N
MW434.53 g/mol
LogP6.05
Rot. Bonds9

About 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine

1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 91380197) has the molecular formula C27H28F2N2O and a molecular weight of 434.53 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
PubChem CID91380197
Molecular FormulaC27H28F2N2O
Molecular Weight434.53 g/mol
Exact Mass434.22
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C27H28F2N2O/c28-23-12-8-21(9-13-23)27(22-10-14-24(29)15-11-22)7-4-18-31-19-16-25(17-20-31)30-32-26-5-2-1-3-6-26/h1-3,5-6,8-16,27,30H,4,7,17-20H2
InChIKeyQJSOXHGRFGDLIV-UHFFFAOYSA-N
XLogP6.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.53
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4,4-bis(4-fluorophenyl)butyl]-4-phenylsulfanyl-3,6-dihydro-2H-pyridine
CID 22757218
1-[4,4-bis(4-fluorophenyl)butyl]-4-(3-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752873
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-chlorophenoxy)-3,6-dihydro-2H-pyridine
CID 22752871
4-(benzenesulfonyl)-1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 22757224
3-[1-[4,4-bis(4-fluorophenyl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
CID 76966521
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
1-[2-(4-fluorophenoxy)ethyl]-4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridine
CID 18794477
(2R)-1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 3072712
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
4-[4,4-bis(4-fluorophenyl)butyl]-1-phenylpiperazin-1-ium-1-carboxamide;hydrochloride
CID 70515531
2-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropoxy]benzonitrile
CID 14574910

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine (CID 91380197) is 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine is Fc1ccc(C(CCCN2CC=C(NOc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is QJSOXHGRFGDLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N2O/c28-23-12-8-21(9-13-23)27(22-10-14-24(29)15-11-22)7-4-18-31-19-16-25(17-20-31)30-32-26-5-2-1-3-6-26/h1-3,5-6,8-16,27,30H,4,7,17-20H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine?
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 434.53 g/mol, XLogP of 6.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 91380197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).