(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine

C20H25NO3 — CID 29024699

IUPAC(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-22-18-9-8-17(20(13-18)23-2)14-21-10-11-24-19(15-21)12-16-6-4-3-5-7-16/h3-9,13,19H,10-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyKWGNJAIIRPGFQN-IBGZPJMESA-N
MW327.42 g/mol
LogP3.15
Rot. Bonds6

About (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine

(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine (PubChem CID 29024699) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
PubChem CID29024699
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
SMILESCOc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C20H25NO3/c1-22-18-9-8-17(20(13-18)23-2)14-21-10-11-24-19(15-21)12-16-6-4-3-5-7-16/h3-9,13,19H,10-12,14-15H2,1-2H3/t19-/m0/s1
InChIKeyKWGNJAIIRPGFQN-IBGZPJMESA-N
XLogP3.15
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
2-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 77271449
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
3-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 56875111
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
CID 102604207
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-(chloromethyl)-4-[(3-methoxyphenyl)methyl]morpholine
CID 81213549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine (CID 29024699) is (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine is COc1ccc(CN2CCO[C@@H](Cc3ccccc3)C2)c(OC)c1.
What is the InChIKey of (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine?
The InChIKey is KWGNJAIIRPGFQN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO3/c1-22-18-9-8-17(20(13-18)23-2)14-21-10-11-24-19(15-21)12-16-6-4-3-5-7-16/h3-9,13,19H,10-12,14-15H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine?
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine is sourced from PubChem (CID 29024699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).