(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine

C26H29NO4 — CID 67352745

IUPAC(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
SMILESCOc1ccc(CN2CCO[C@H](c3ccc(OCc4ccccc4)cc3)C2)c(OC)c1
InChIInChI=1S/C26H29NO4/c1-28-24-13-10-22(25(16-24)29-2)17-27-14-15-30-26(18-27)21-8-11-23(12-9-21)31-19-20-6-4-3-5-7-20/h3-13,16,26H,14-15,17-19H2,1-2H3/t26-/m0/s1
InChIKeyKJBGSFJQSBBMRJ-SANMLTNESA-N
MW419.52 g/mol
LogP4.86
Rot. Bonds8

About (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine

(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine (PubChem CID 67352745) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
PubChem CID67352745
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
SMILESCOc1ccc(CN2CCO[C@H](c3ccc(OCc4ccccc4)cc3)C2)c(OC)c1
InChIInChI=1S/C26H29NO4/c1-28-24-13-10-22(25(16-24)29-2)17-27-14-15-30-26(18-27)21-8-11-23(12-9-21)31-19-20-6-4-3-5-7-20/h3-13,16,26H,14-15,17-19H2,1-2H3/t26-/m0/s1
InChIKeyKJBGSFJQSBBMRJ-SANMLTNESA-N
XLogP4.86
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
CID 77271766
[4-[(2S)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 87367870
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
CID 74237175
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
1-[(4-methoxy-2-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 39331813
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The IUPAC name of (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine (CID 67352745) is (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine.
What is the SMILES notation for (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The canonical SMILES for (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine is COc1ccc(CN2CCO[C@H](c3ccc(OCc4ccccc4)cc3)C2)c(OC)c1.
What is the InChIKey of (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
The InChIKey is KJBGSFJQSBBMRJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H29NO4/c1-28-24-13-10-22(25(16-24)29-2)17-27-14-15-30-26(18-27)21-8-11-23(12-9-21)31-19-20-6-4-3-5-7-20/h3-13,16,26H,14-15,17-19H2,1-2H3/t26-/m0/s1.
What are the key properties of (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine?
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine has a molecular weight of 419.52 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine is sourced from PubChem (CID 67352745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).