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

C29H32F2N2O — CID 91008070

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H32F2N2O/c30-26-12-8-24(9-13-26)29(25-10-14-27(31)15-11-25)7-4-19-33-20-16-28(17-21-33)32-34-22-18-23-5-2-1-3-6-23/h1-3,5-6,8-16,29,32H,4,7,17-22H2
InChIKeyCEVBFKJWIZAHOA-UHFFFAOYSA-N
MW462.58 g/mol
LogP6.23
Rot. Bonds11

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

1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 91008070) has the molecular formula C29H32F2N2O and a molecular weight of 462.58 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine
PubChem CID91008070
Molecular FormulaC29H32F2N2O
Molecular Weight462.58 g/mol
Exact Mass462.25
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C29H32F2N2O/c30-26-12-8-24(9-13-26)29(25-10-14-27(31)15-11-25)7-4-19-33-20-16-28(17-21-33)32-34-22-18-23-5-2-1-3-6-23/h1-3,5-6,8-16,29,32H,4,7,17-22H2
InChIKeyCEVBFKJWIZAHOA-UHFFFAOYSA-N
XLogP6.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)piperidin-4-imine
CID 57992865
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
CID 90754443
1-[4,4-bis(4-fluorophenyl)butyl]-N-[[3-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 90858910
1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91080179
4,4-bis(4-fluorophenyl)-1-[4-(phenylmethoxyamino)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 91273862
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenoxy-3,6-dihydro-2H-pyridin-4-amine
CID 91380197
1-[4,4-bis(4-fluorophenyl)butyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91610873

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine (CID 91008070) is 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine is Fc1ccc(C(CCCN2CC=C(NOCCc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is CEVBFKJWIZAHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N2O/c30-26-12-8-24(9-13-26)29(25-10-14-27(31)15-11-25)7-4-19-33-20-16-28(17-21-33)32-34-22-18-23-5-2-1-3-6-23/h1-3,5-6,8-16,29,32H,4,7,17-22H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine?
1-[4,4-bis(4-fluorophenyl)butyl]-N-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 462.58 g/mol, XLogP of 6.23, 11 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-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 91008070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).