(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine

C25H27NO3 — CID 67352433

IUPAC(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
SMILESCOc1ccc(CN2CCO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C25H27NO3/c1-27-23-11-7-20(8-12-23)17-26-15-16-28-25(18-26)22-9-13-24(14-10-22)29-19-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3/t25-/m1/s1
InChIKeyCVWIPRUGHRZFSF-RUZDIDTESA-N
MW389.50 g/mol
LogP4.85
Rot. Bonds7

About (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine

(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine (PubChem CID 67352433) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
PubChem CID67352433
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
SMILESCOc1ccc(CN2CCO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1
InChIInChI=1S/C25H27NO3/c1-27-23-11-7-20(8-12-23)17-26-15-16-28-25(18-26)22-9-13-24(14-10-22)29-19-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3/t25-/m1/s1
InChIKeyCVWIPRUGHRZFSF-RUZDIDTESA-N
XLogP4.85
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
CID 155814589
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
[4-[(2R)-4-[(4-methoxyphenyl)methyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 87367788
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
methyl 2-[4-[[2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetate
CID 56878101
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The IUPAC name of (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine (CID 67352433) is (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine.
What is the SMILES notation for (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The canonical SMILES for (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine is COc1ccc(CN2CCO[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1.
What is the InChIKey of (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The InChIKey is CVWIPRUGHRZFSF-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27NO3/c1-27-23-11-7-20(8-12-23)17-26-15-16-28-25(18-26)22-9-13-24(14-10-22)29-19-21-5-3-2-4-6-21/h2-14,25H,15-19H2,1H3/t25-/m1/s1.
What are the key properties of (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine has a molecular weight of 389.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine is sourced from PubChem (CID 67352433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).