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

C28H29ClF2N2O — CID 91080179

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H29ClF2N2O/c29-24-9-3-21(4-10-24)20-34-32-27-15-18-33(19-16-27)17-1-2-28(22-5-11-25(30)12-6-22)23-7-13-26(31)14-8-23/h3-15,28,32H,1-2,16-20H2
InChIKeyLNDDBDOPTNNIOV-UHFFFAOYSA-N
MW483.00 g/mol
LogP6.84
Rot. Bonds10

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

1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 91080179) has the molecular formula C28H29ClF2N2O and a molecular weight of 483.00 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
PubChem CID91080179
Molecular FormulaC28H29ClF2N2O
Molecular Weight483.00 g/mol
Exact Mass482.19
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H29ClF2N2O/c29-24-9-3-21(4-10-24)20-34-32-27-15-18-33(19-16-27)17-1-2-28(22-5-11-25(30)12-6-22)23-7-13-26(31)14-8-23/h3-15,28,32H,1-2,16-20H2
InChIKeyLNDDBDOPTNNIOV-UHFFFAOYSA-N
XLogP6.84
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.00
LogP ≤ 56.84
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

4-(4-Chlorophenyl)-1-[[5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]methyl]piperidin-4-ol
CID 56616338
1-[[5,5-bis(4-fluorophenyl)-2H-1,2-oxazol-3-yl]methyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 56617415
1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]piperidin-4-imine
CID 57993063
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-(2-phenylethoxy)-3,6-dihydro-2H-pyridin-4-amine
CID 91008070
1-[4,4-bis(4-fluorophenyl)butyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91610873
1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 57212855
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
CID 90784367

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine (CID 91080179) is 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is Fc1ccc(C(CCCN2CC=C(NOCc3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is LNDDBDOPTNNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClF2N2O/c29-24-9-3-21(4-10-24)20-34-32-27-15-18-33(19-16-27)17-1-2-28(22-5-11-25(30)12-6-22)23-7-13-26(31)14-8-23/h3-15,28,32H,1-2,16-20H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine?
1-[4,4-bis(4-fluorophenyl)butyl]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 483.00 g/mol, XLogP of 6.84, 10 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-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 91080179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).