(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine

C20H24FNO3 — CID 29185207

IUPAC(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
SMILESCOc1cccc(CN2CCO[C@H](Cc3cccc(F)c3)C2)c1OC
InChIInChI=1S/C20H24FNO3/c1-23-19-8-4-6-16(20(19)24-2)13-22-9-10-25-18(14-22)12-15-5-3-7-17(21)11-15/h3-8,11,18H,9-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyJIDQVTJVJOZXEL-GOSISDBHSA-N
MW345.41 g/mol
LogP3.29
Rot. Bonds6

About (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine

(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine (PubChem CID 29185207) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
PubChem CID29185207
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
SMILESCOc1cccc(CN2CCO[C@H](Cc3cccc(F)c3)C2)c1OC
InChIInChI=1S/C20H24FNO3/c1-23-19-8-4-6-16(20(19)24-2)13-22-9-10-25-18(14-22)12-15-5-3-7-17(21)11-15/h3-8,11,18H,9-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyJIDQVTJVJOZXEL-GOSISDBHSA-N
XLogP3.29
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 110218665
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-(6-fluoroisoquinolin-3-yl)morpholine
CID 92600896
N-[[(2R)-4-[(2,3-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 124614604
(2R)-2-[(3-fluorophenyl)methyl]-4-(thiophen-2-ylmethyl)morpholine
CID 95135538
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
1-[(2,3-dimethoxyphenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine;oxalic acid
CID 91969612
4-[(2-ethylpyrimidin-5-yl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 45197160
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060337
4-bromo-2-[(3-fluorophenyl)methyl]morpholine
CID 172689726
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The IUPAC name of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine (CID 29185207) is (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine is COc1cccc(CN2CCO[C@H](Cc3cccc(F)c3)C2)c1OC.
What is the InChIKey of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
The InChIKey is JIDQVTJVJOZXEL-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-23-19-8-4-6-16(20(19)24-2)13-22-9-10-25-18(14-22)12-15-5-3-7-17(21)11-15/h3-8,11,18H,9-10,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine?
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine has a molecular weight of 345.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 29185207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).