4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine

C19H22FNO3 — CID 74237175

IUPAC4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
SMILESCOc1cc(F)c(CN2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-22-17-10-15(16(20)11-18(17)23-2)12-21-8-9-24-19(13-21)14-6-4-3-5-7-14/h3-7,10-11,19H,8-9,12-13H2,1-2H3
InChIKeyLMDWZTUNLHXBBB-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.42
Rot. Bonds5

About 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine

4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine (PubChem CID 74237175) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
PubChem CID74237175
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine
SMILESCOc1cc(F)c(CN2CCOC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-22-17-10-15(16(20)11-18(17)23-2)12-21-8-9-24-19(13-21)14-6-4-3-5-7-14/h3-7,10-11,19H,8-9,12-13H2,1-2H3
InChIKeyLMDWZTUNLHXBBB-UHFFFAOYSA-N
XLogP3.42
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
4-[[(2R)-2-(3-fluorophenyl)morpholin-4-yl]methyl]-2-methoxyphenol
CID 124614792
3,4-dimethoxy-N-[2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16892679
3,4-dimethoxy-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzenesulfonamide
CID 30851072
2-isoquinolin-3-yl-4-[(2-methoxyphenyl)methyl]morpholine
CID 110218627
2-(3-fluorophenyl)-4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 126792008
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
CID 77097951
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine?
The IUPAC name of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine (CID 74237175) is 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine is COc1cc(F)c(CN2CCOC(c3ccccc3)C2)cc1OC.
What is the InChIKey of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine?
The InChIKey is LMDWZTUNLHXBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-22-17-10-15(16(20)11-18(17)23-2)12-21-8-9-24-19(13-21)14-6-4-3-5-7-14/h3-7,10-11,19H,8-9,12-13H2,1-2H3.
What are the key properties of 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine?
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine has a molecular weight of 331.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 74237175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).