4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine

C16H24BrNO3 — CID 170870300

IUPAC4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO3/c1-3-21-15-12-13(11-14(17)16(15)19-2)5-4-6-18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3
InChIKeyPVTRPUBXLGYXMP-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.12
Rot. Bonds7

About 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine

4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine (PubChem CID 170870300) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
PubChem CID170870300
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine
SMILESCCOc1cc(CCCN2CCOCC2)cc(Br)c1OC
InChIInChI=1S/C16H24BrNO3/c1-3-21-15-12-13(11-14(17)16(15)19-2)5-4-6-18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3
InChIKeyPVTRPUBXLGYXMP-UHFFFAOYSA-N
XLogP3.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
2,6-dibromo-4-(3-morpholin-4-ylpropyl)phenol
CID 170869303
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17159852
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722087
N-[[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055302
N-[(3-bromo-4-butoxy-5-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 7315144
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
3-bromo-5-ethoxy-4-(2-morpholin-4-ylethoxy)benzaldehyde
CID 22680018
3-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-methylpiperidin-4-ol
CID 110535252

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine (CID 170870300) is 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine is CCOc1cc(CCCN2CCOCC2)cc(Br)c1OC.
What is the InChIKey of 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine?
The InChIKey is PVTRPUBXLGYXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-3-21-15-12-13(11-14(17)16(15)19-2)5-4-6-18-7-9-20-10-8-18/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine?
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine has a molecular weight of 358.28 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)propyl]morpholine is sourced from PubChem (CID 170870300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).