1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol

C25H26BrNO2 — CID 69292131

IUPAC1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
SMILESOC(Cc1ccccc1Br)(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C25H26BrNO2/c26-23-14-8-7-11-21(23)17-25(28,22-12-5-2-6-13-22)24-19-27(15-16-29-24)18-20-9-3-1-4-10-20/h1-14,24,28H,15-19H2
InChIKeyWFDNYVDXWOWEKS-UHFFFAOYSA-N
MW452.39 g/mol
LogP4.78
Rot. Bonds6

About 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol

1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol (PubChem CID 69292131) has the molecular formula C25H26BrNO2 and a molecular weight of 452.39 g/mol. Its IUPAC name is 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol.

Molecular Properties

Compound Name1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
PubChem CID69292131
Molecular FormulaC25H26BrNO2
Molecular Weight452.39 g/mol
Exact Mass451.11
IUPAC Name1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
SMILESOC(Cc1ccccc1Br)(c1ccccc1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C25H26BrNO2/c26-23-14-8-7-11-21(23)17-25(28,22-12-5-2-6-13-22)24-19-27(15-16-29-24)18-20-9-3-1-4-10-20/h1-14,24,28H,15-19H2
InChIKeyWFDNYVDXWOWEKS-UHFFFAOYSA-N
XLogP4.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
CID 70336164
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
CID 70335752
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
(R)-[(2S)-4-benzylmorpholin-2-yl]-phenylmethanol
CID 58997973

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol?
The IUPAC name of 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol (CID 69292131) is 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol.
What is the SMILES notation for 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol?
The canonical SMILES for 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol is OC(Cc1ccccc1Br)(c1ccccc1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol?
The InChIKey is WFDNYVDXWOWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrNO2/c26-23-14-8-7-11-21(23)17-25(28,22-12-5-2-6-13-22)24-19-27(15-16-29-24)18-20-9-3-1-4-10-20/h1-14,24,28H,15-19H2.
What are the key properties of 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol?
1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol has a molecular weight of 452.39 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol is sourced from PubChem (CID 69292131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).