6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

C21H19Br2NO2 — CID 135025274

IUPAC6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C21H19Br2NO2/c22-15-6-7-16-14(13-15)5-8-19(25)20(16)21(24-9-11-26-12-10-24)17-3-1-2-4-18(17)23/h1-8,13,21,25H,9-12H2
InChIKeyAJZKXERXUNKETF-UHFFFAOYSA-N
MW477.20 g/mol
LogP5.49
Rot. Bonds3

About 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (PubChem CID 135025274) has the molecular formula C21H19Br2NO2 and a molecular weight of 477.20 g/mol. Its IUPAC name is 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
PubChem CID135025274
Molecular FormulaC21H19Br2NO2
Molecular Weight477.20 g/mol
Exact Mass474.98
IUPAC Name6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2cc(Br)ccc2c1C(c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C21H19Br2NO2/c22-15-6-7-16-14(13-15)5-8-19(25)20(16)21(24-9-11-26-12-10-24)17-3-1-2-4-18(17)23/h1-8,13,21,25H,9-12H2
InChIKeyAJZKXERXUNKETF-UHFFFAOYSA-N
XLogP5.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.20
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
CID 135025792
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206
6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
CID 23500857
1-[(4-benzhydrylpiperazin-1-yl)methyl]-6-bromonaphthalen-2-ol
CID 2419105
2-[(S)-morpholin-4-yl(phenyl)methyl]phenol
CID 36690968
7-hydroxy-4-methyl-8-[morpholin-4-yl(phenyl)methyl]chromen-2-one
CID 11450983
6-bromo-1-(1-hydroxypropan-2-yl)naphthalen-2-ol
CID 117451047
1,6-dibromonaphthalen-2-ol;sulfur dioxide
CID 70231756
(3S)-3-(5-bromo-2-hydroxyphenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 1331148
1-[(2,3-difluorophenyl)-thiomorpholin-4-ylmethyl]naphthalen-2-ol
CID 102454941

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The IUPAC name of 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol (CID 135025274) is 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is Oc1ccc2cc(Br)ccc2c1C(c1ccccc1Br)N1CCOCC1.
What is the InChIKey of 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
The InChIKey is AJZKXERXUNKETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Br2NO2/c22-15-6-7-16-14(13-15)5-8-19(25)20(16)21(24-9-11-26-12-10-24)17-3-1-2-4-18(17)23/h1-8,13,21,25H,9-12H2.
What are the key properties of 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol?
6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol has a molecular weight of 477.20 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 135025274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).