4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine

C18H29NO2 — CID 10085673

IUPAC4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
SMILESCCO[C@H](C[C@@H](C(C)C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-21-18(16-8-6-5-7-9-16)14-17(15(2)3)19-10-12-20-13-11-19/h5-9,15,17-18H,4,10-14H2,1-3H3/t17-,18+/m0/s1
InChIKeyXIYMZBWPOMXBNR-ZWKOTPCHSA-N
MW291.44 g/mol
LogP3.51
Rot. Bonds7

About 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine

4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine (PubChem CID 10085673) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
PubChem CID10085673
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
SMILESCCO[C@H](C[C@@H](C(C)C)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-4-21-18(16-8-6-5-7-9-16)14-17(15(2)3)19-10-12-20-13-11-19/h5-9,15,17-18H,4,10-14H2,1-3H3/t17-,18+/m0/s1
InChIKeyXIYMZBWPOMXBNR-ZWKOTPCHSA-N
XLogP3.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine?
The IUPAC name of 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine (CID 10085673) is 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine.
What is the SMILES notation for 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine?
The canonical SMILES for 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine is CCO[C@H](C[C@@H](C(C)C)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine?
The InChIKey is XIYMZBWPOMXBNR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-21-18(16-8-6-5-7-9-16)14-17(15(2)3)19-10-12-20-13-11-19/h5-9,15,17-18H,4,10-14H2,1-3H3/t17-,18+/m0/s1.
What are the key properties of 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine?
4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine has a molecular weight of 291.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine is sourced from PubChem (CID 10085673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).