(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine

C23H30FNO2 — CID 59598501

IUPAC(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine
SMILESCOCCCCC(c1cccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1
InChIInChI=1S/C23H30FNO2/c1-17-7-5-8-18(15-17)23-20(10-6-11-21(23)24)19(9-3-4-13-26-2)22-16-25-12-14-27-22/h5-8,10-11,15,19,22,25H,3-4,9,12-14,16H2,1-2H3/t19?,22-/m1/s1
InChIKeyMXXWYSWDQJJUNY-AVKWCDSFSA-N
MW371.50 g/mol
LogP4.69
Rot. Bonds8

About (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine

(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine (PubChem CID 59598501) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine
PubChem CID59598501
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine
SMILESCOCCCCC(c1cccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1
InChIInChI=1S/C23H30FNO2/c1-17-7-5-8-18(15-17)23-20(10-6-11-21(23)24)19(9-3-4-13-26-2)22-16-25-12-14-27-22/h5-8,10-11,15,19,22,25H,3-4,9,12-14,16H2,1-2H3/t19?,22-/m1/s1
InChIKeyMXXWYSWDQJJUNY-AVKWCDSFSA-N
XLogP4.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine?
The IUPAC name of (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine (CID 59598501) is (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine.
What is the SMILES notation for (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine?
The canonical SMILES for (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine is COCCCCC(c1cccc(F)c1-c1cccc(C)c1)[C@H]1CNCCO1.
What is the InChIKey of (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine?
The InChIKey is MXXWYSWDQJJUNY-AVKWCDSFSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-17-7-5-8-18(15-17)23-20(10-6-11-21(23)24)19(9-3-4-13-26-2)22-16-25-12-14-27-22/h5-8,10-11,15,19,22,25H,3-4,9,12-14,16H2,1-2H3/t19?,22-/m1/s1.
What are the key properties of (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine?
(2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine has a molecular weight of 371.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[3-fluoro-2-(3-methylphenyl)phenyl]-5-methoxypentyl]morpholine is sourced from PubChem (CID 59598501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).