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

C28H30F2N2O — CID 90754443

IUPAC1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30F2N2O/c29-25-12-8-23(9-13-25)28(24-10-14-26(30)15-11-24)7-4-18-32-19-16-27(17-20-32)31-33-21-22-5-2-1-3-6-22/h1-3,5-6,8-16,28,31H,4,7,17-21H2
InChIKeyCCKSUAQVEUPEMD-UHFFFAOYSA-N
MW448.56 g/mol
LogP6.19
Rot. Bonds10

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

1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90754443) has the molecular formula C28H30F2N2O and a molecular weight of 448.56 g/mol. Its IUPAC name is 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90754443
Molecular FormulaC28H30F2N2O
Molecular Weight448.56 g/mol
Exact Mass448.23
IUPAC Name1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine
SMILESFc1ccc(C(CCCN2CC=C(NOCc3ccccc3)CC2)c2ccc(F)cc2)cc1
InChIInChI=1S/C28H30F2N2O/c29-25-12-8-23(9-13-25)28(24-10-14-26(30)15-11-24)7-4-18-32-19-16-27(17-20-32)31-33-21-22-5-2-1-3-6-22/h1-3,5-6,8-16,28,31H,4,7,17-21H2
InChIKeyCCKSUAQVEUPEMD-UHFFFAOYSA-N
XLogP6.19
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 56.19
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

O-Benzhydryl-N-[1-(4-fluoro-benzyl)-piperidin-4-ylmethyl]-hydroxylamine
CID 10272588
3-[(4-Benzylpiperidin-1-yl)methyl]-5-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 56636998
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxypiperidin-4-imine
CID 57992953
4-[bis(4-fluorophenyl)methoxyamino]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-sulfonamide
CID 90709418
5-[[[1-[4,4-bis(4-fluorophenyl)butanoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 90712028
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-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
5-[[[1-[3,3-bis(4-fluorophenyl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]amino]oxymethyl]-2-fluorobenzonitrile
CID 91415686
4,4-bis(4-fluorophenyl)-1-[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
CID 91543093

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine (CID 90754443) is 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine is Fc1ccc(C(CCCN2CC=C(NOCc3ccccc3)CC2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is CCKSUAQVEUPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N2O/c29-25-12-8-23(9-13-25)28(24-10-14-26(30)15-11-24)7-4-18-32-19-16-27(17-20-32)31-33-21-22-5-2-1-3-6-22/h1-3,5-6,8-16,28,31H,4,7,17-21H2.
What are the key properties of 1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine?
1-[4,4-bis(4-fluorophenyl)butyl]-N-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 448.56 g/mol, XLogP of 6.19, 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-phenylmethoxy-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90754443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).