6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]

C21H23Br2NO2 — CID 25140347

IUPAC6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]
SMILESCC1(C)CC2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1
InChIInChI=1S/C21H23Br2NO2/c1-20(2)13-21(18-11-17(23)7-8-19(18)26-20)14-24(9-10-25-21)12-15-3-5-16(22)6-4-15/h3-8,11H,9-10,12-14H2,1-2H3
InChIKeyFAFQDHBWRGUWMG-UHFFFAOYSA-N
MW481.23 g/mol
LogP5.50
Rot. Bonds2

About 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]

6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine] (PubChem CID 25140347) has the molecular formula C21H23Br2NO2 and a molecular weight of 481.23 g/mol. Its IUPAC name is 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine].

Molecular Properties

Compound Name6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]
PubChem CID25140347
Molecular FormulaC21H23Br2NO2
Molecular Weight481.23 g/mol
Exact Mass479.01
IUPAC Name6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]
SMILESCC1(C)CC2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1
InChIInChI=1S/C21H23Br2NO2/c1-20(2)13-21(18-11-17(23)7-8-19(18)26-20)14-24(9-10-25-21)12-15-3-5-16(22)6-4-15/h3-8,11H,9-10,12-14H2,1-2H3
InChIKeyFAFQDHBWRGUWMG-UHFFFAOYSA-N
XLogP5.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.23
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]?
The IUPAC name of 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine] (CID 25140347) is 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine].
What is the SMILES notation for 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]?
The canonical SMILES for 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine] is CC1(C)CC2(CN(Cc3ccc(Br)cc3)CCO2)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]?
The InChIKey is FAFQDHBWRGUWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Br2NO2/c1-20(2)13-21(18-11-17(23)7-8-19(18)26-20)14-24(9-10-25-21)12-15-3-5-16(22)6-4-15/h3-8,11H,9-10,12-14H2,1-2H3.
What are the key properties of 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine]?
6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine] has a molecular weight of 481.23 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4'-[(4-bromophenyl)methyl]-2,2-dimethylspiro[3H-chromene-4,2'-morpholine] is sourced from PubChem (CID 25140347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).