4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine

C25H27NO2 — CID 67032467

IUPAC4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
SMILESCc1cc(C2CN(Cc3ccccc3)CCO2)ccc1OCc1ccccc1
InChIInChI=1S/C25H27NO2/c1-20-16-23(12-13-24(20)28-19-22-10-6-3-7-11-22)25-18-26(14-15-27-25)17-21-8-4-2-5-9-21/h2-13,16,25H,14-15,17-19H2,1H3
InChIKeyLRIXQBCRCHHBCW-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.15
Rot. Bonds6

About 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine

4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine (PubChem CID 67032467) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine.

Molecular Properties

Compound Name4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
PubChem CID67032467
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
SMILESCc1cc(C2CN(Cc3ccccc3)CCO2)ccc1OCc1ccccc1
InChIInChI=1S/C25H27NO2/c1-20-16-23(12-13-24(20)28-19-22-10-6-3-7-11-22)25-18-26(14-15-27-25)17-21-8-4-2-5-9-21/h2-13,16,25H,14-15,17-19H2,1H3
InChIKeyLRIXQBCRCHHBCW-UHFFFAOYSA-N
XLogP5.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
4-(4-benzylmorpholin-2-yl)-2-chlorophenol
CID 66654072
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate
CID 57440694
4-benzyl-2-[4-(2-methylphenyl)sulfanylphenyl]morpholine
CID 66654478
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
N-[4-(4-benzylmorpholin-2-yl)phenyl]-1,1-diphenylmethanimine
CID 86670013
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
4-[[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methyl]-2,6-dimethoxyphenol
CID 95553357
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-benzyl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]morpholine
CID 66653794
4-benzyl-1-(3-methyl-4-phenylmethoxyphenyl)piperazine-2,6-dione
CID 54410983

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine?
The IUPAC name of 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine (CID 67032467) is 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine.
What is the SMILES notation for 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine?
The canonical SMILES for 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine is Cc1cc(C2CN(Cc3ccccc3)CCO2)ccc1OCc1ccccc1.
What is the InChIKey of 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine?
The InChIKey is LRIXQBCRCHHBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2/c1-20-16-23(12-13-24(20)28-19-22-10-6-3-7-11-22)25-18-26(14-15-27-25)17-21-8-4-2-5-9-21/h2-13,16,25H,14-15,17-19H2,1H3.
What are the key properties of 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine?
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine has a molecular weight of 373.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine is sourced from PubChem (CID 67032467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).