(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine

C19H25NO3 — CID 31016043

IUPAC(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
SMILESCCc1ccc(CN2CCO[C@@H](Cc3ccc(OC)cc3)C2)o1
InChIInChI=1S/C19H25NO3/c1-3-16-8-9-18(23-16)13-20-10-11-22-19(14-20)12-15-4-6-17(21-2)7-5-15/h4-9,19H,3,10-14H2,1-2H3/t19-/m0/s1
InChIKeyWYLZRIMKYFWXNO-IBGZPJMESA-N
MW315.41 g/mol
LogP3.29
Rot. Bonds6

About (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine

(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine (PubChem CID 31016043) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
PubChem CID31016043
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine
SMILESCCc1ccc(CN2CCO[C@@H](Cc3ccc(OC)cc3)C2)o1
InChIInChI=1S/C19H25NO3/c1-3-16-8-9-18(23-16)13-20-10-11-22-19(14-20)12-15-4-6-17(21-2)7-5-15/h4-9,19H,3,10-14H2,1-2H3/t19-/m0/s1
InChIKeyWYLZRIMKYFWXNO-IBGZPJMESA-N
XLogP3.29
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
2-[(4-methoxyphenyl)methyl]-4-[(2-propylpyrimidin-5-yl)methyl]morpholine
CID 45237362
(2S)-2-[(4-methoxyphenyl)methyl]-4-(4,4,4-trifluorobutyl)morpholine
CID 95126490
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
2-[(2-ethylmorpholin-4-yl)methyl]-4-methoxyaniline
CID 115413796
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(2R)-4-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4-methoxyphenyl)methyl]morpholine
CID 25385477
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The IUPAC name of (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine (CID 31016043) is (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The canonical SMILES for (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine is CCc1ccc(CN2CCO[C@@H](Cc3ccc(OC)cc3)C2)o1.
What is the InChIKey of (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine?
The InChIKey is WYLZRIMKYFWXNO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-16-8-9-18(23-16)13-20-10-11-22-19(14-20)12-15-4-6-17(21-2)7-5-15/h4-9,19H,3,10-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine?
(2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine has a molecular weight of 315.41 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 (2S)-4-[(5-ethylfuran-2-yl)methyl]-2-[(4-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 31016043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).