(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol

C24H24BrNO2 — CID 70336164

IUPAC(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1Br)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H24BrNO2/c25-22-14-8-7-13-21(22)24(27,20-11-5-2-6-12-20)23-18-26(15-16-28-23)17-19-9-3-1-4-10-19/h1-14,23,27H,15-18H2
InChIKeyYVJILNSDBBGLSZ-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.59
Rot. Bonds5

About (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol

(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol (PubChem CID 70336164) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
PubChem CID70336164
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1Br)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C24H24BrNO2/c25-22-14-8-7-13-21(22)24(27,20-11-5-2-6-12-20)23-18-26(15-16-28-23)17-19-9-3-1-4-10-19/h1-14,23,27H,15-18H2
InChIKeyYVJILNSDBBGLSZ-UHFFFAOYSA-N
XLogP4.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzylmorpholin-2-yl)-2-(2-bromophenyl)-1-phenylethanol
CID 69292131
[(2S)-4-benzylmorpholin-2-yl]-(5-fluoro-2-phenylphenyl)-phenylmethanol
CID 70335752
1-(4-benzylmorpholin-2-yl)-1-phenyl-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 69292293
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
1-[(2S)-4-benzylmorpholin-2-yl]-2-(2,5-dimethoxyphenyl)-1-phenylethanol
CID 143010879
[(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
2-(4-benzylmorpholin-2-yl)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-2-ol
CID 59789302
(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 (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol?
The IUPAC name of (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol (CID 70336164) is (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol.
What is the SMILES notation for (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol?
The canonical SMILES for (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol is OC(c1ccccc1)(c1ccccc1Br)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol?
The InChIKey is YVJILNSDBBGLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrNO2/c25-22-14-8-7-13-21(22)24(27,20-11-5-2-6-12-20)23-18-26(15-16-28-23)17-19-9-3-1-4-10-19/h1-14,23,27H,15-18H2.
What are the key properties of (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol?
(4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol has a molecular weight of 438.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)-(2-bromophenyl)-phenylmethanol is sourced from PubChem (CID 70336164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).