N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine

C21H24Cl2N2O — CID 90784367

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
SMILESCC(CN1CC=C(NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-10,16,24H,11-15H2,1H3
InChIKeyZIJDNXUTDZTAHT-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.41
Rot. Bonds7

About N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine

N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 90784367) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
PubChem CID90784367
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine
SMILESCC(CN1CC=C(NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-10,16,24H,11-15H2,1H3
InChIKeyZIJDNXUTDZTAHT-UHFFFAOYSA-N
XLogP5.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.41
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]-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 91080179
4-(2-Chlorophenyl)-1-phenylmethoxypiperidine
CID 57070666
1-tert-butyl-N-[(4-chlorophenyl)methoxy]-3,6-dihydro-2H-pyridin-4-amine
CID 57212855
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)piperidin-4-imine
CID 87616792
N-[(2,6-dichlorophenyl)methoxy]-1-[1-(3-phenylpropyl)piperidin-4-ylidene]methanamine
CID 90889755

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine (CID 90784367) is N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine is CC(CN1CC=C(NOCc2c(Cl)cccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is ZIJDNXUTDZTAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-16(17-6-3-2-4-7-17)14-25-12-10-18(11-13-25)24-26-15-19-20(22)8-5-9-21(19)23/h2-10,16,24H,11-15H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine?
N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 391.34 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methoxy]-1-(2-phenylpropyl)-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 90784367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).