4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine

C18H18BrN3O — CID 86969354

IUPAC4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine
SMILESBrc1cccc2c1cnn2CN1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18BrN3O/c19-16-7-4-8-17-15(16)11-20-22(17)13-21-9-10-23-18(12-21)14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2
InChIKeyYZSDBGKDCWMBJL-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.83
Rot. Bonds3

About 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine

4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine (PubChem CID 86969354) has the molecular formula C18H18BrN3O and a molecular weight of 372.27 g/mol. Its IUPAC name is 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine
PubChem CID86969354
Molecular FormulaC18H18BrN3O
Molecular Weight372.27 g/mol
Exact Mass371.06
IUPAC Name4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine
SMILESBrc1cccc2c1cnn2CN1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H18BrN3O/c19-16-7-4-8-17-15(16)11-20-22(17)13-21-9-10-23-18(12-21)14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2
InChIKeyYZSDBGKDCWMBJL-UHFFFAOYSA-N
XLogP3.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
(2S)-2-phenyl-4-[2-(1H-pyrazol-4-yl)ethyl]morpholine
CID 124749992
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
(2S)-2-(4-fluorophenyl)-4-[(5-pyridin-4-ylpyrazol-1-yl)methyl]morpholine
CID 95158235
2-bromo-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816169
1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
CID 134044292
2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 99928981

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine?
The IUPAC name of 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine (CID 86969354) is 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine is Brc1cccc2c1cnn2CN1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine?
The InChIKey is YZSDBGKDCWMBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O/c19-16-7-4-8-17-15(16)11-20-22(17)13-21-9-10-23-18(12-21)14-5-2-1-3-6-14/h1-8,11,18H,9-10,12-13H2.
What are the key properties of 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine?
4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine has a molecular weight of 372.27 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromoindazol-1-yl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 86969354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).