6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol

C22H20BrNO — CID 2406663

IUPAC6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H20BrNO/c23-19-7-8-20-18(14-19)6-9-22(25)21(20)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-10,14,25H,11-13,15H2
InChIKeyMTLFMMRCRYRUGV-UHFFFAOYSA-N
MW394.31 g/mol
LogP5.60
Rot. Bonds3

About 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol

6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol (PubChem CID 2406663) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol
PubChem CID2406663
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC Name6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H20BrNO/c23-19-7-8-20-18(14-19)6-9-22(25)21(20)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-10,14,25H,11-13,15H2
InChIKeyMTLFMMRCRYRUGV-UHFFFAOYSA-N
XLogP5.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol (CID 2406663) is 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is MTLFMMRCRYRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrNO/c23-19-7-8-20-18(14-19)6-9-22(25)21(20)15-24-12-10-17(11-13-24)16-4-2-1-3-5-16/h1-10,14,25H,11-13,15H2.
What are the key properties of 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol?
6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 394.31 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 2406663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).