(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine

C18H27NO3 — CID 124845902

IUPAC(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine
SMILESCOc1ccc([C@H](C)CN2CCO[C@H]([C@H]3CCCO3)C2)cc1
InChIInChI=1S/C18H27NO3/c1-14(15-5-7-16(20-2)8-6-15)12-19-9-11-22-18(13-19)17-4-3-10-21-17/h5-8,14,17-18H,3-4,9-13H2,1-2H3/t14-,17-,18+/m1/s1
InChIKeyXQYNYKXMXBKODF-OLMNPRSZSA-N
MW305.42 g/mol
LogP2.68
Rot. Bonds5

About (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine

(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine (PubChem CID 124845902) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine
PubChem CID124845902
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine
SMILESCOc1ccc([C@H](C)CN2CCO[C@H]([C@H]3CCCO3)C2)cc1
InChIInChI=1S/C18H27NO3/c1-14(15-5-7-16(20-2)8-6-15)12-19-9-11-22-18(13-19)17-4-3-10-21-17/h5-8,14,17-18H,3-4,9-13H2,1-2H3/t14-,17-,18+/m1/s1
InChIKeyXQYNYKXMXBKODF-OLMNPRSZSA-N
XLogP2.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methoxyphenyl)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129007338
(3S)-3-chloro-1-[2-(4-methoxyphenyl)-2-(oxan-2-yl)ethyl]piperidine
CID 70066037
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
(3aS,6aR)-2-[2-(4-methoxyphenyl)propyl]-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 126687309
1-[2-(4-methoxyphenyl)propyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781971
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
2-(2-chloro-1,3-thiazol-4-yl)-4-[2-[4-(2-ethoxyethoxy)phenyl]propyl]morpholine
CID 67935934
2-[bis(4-methoxyphenyl)methyl]-1,3-dioxolane
CID 4868245
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
1-(4-methoxyphenyl)-N-methyl-1-(4-propylmorpholin-2-yl)methanamine
CID 79658250
1-(4-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43481680
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine?
The IUPAC name of (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine (CID 124845902) is (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine.
What is the SMILES notation for (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine?
The canonical SMILES for (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine is COc1ccc([C@H](C)CN2CCO[C@H]([C@H]3CCCO3)C2)cc1.
What is the InChIKey of (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine?
The InChIKey is XQYNYKXMXBKODF-OLMNPRSZSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(15-5-7-16(20-2)8-6-15)12-19-9-11-22-18(13-19)17-4-3-10-21-17/h5-8,14,17-18H,3-4,9-13H2,1-2H3/t14-,17-,18+/m1/s1.
What are the key properties of (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine?
(2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine has a molecular weight of 305.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-2-(4-methoxyphenyl)propyl]-2-[(2R)-oxolan-2-yl]morpholine is sourced from PubChem (CID 124845902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).