4-[4-(3-bromoprop-1-enyl)phenyl]morpholine

C13H16BrNO — CID 169476236

IUPAC4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
SMILESBrCC=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H16BrNO/c14-7-1-2-12-3-5-13(6-4-12)15-8-10-16-11-9-15/h1-6H,7-11H2
InChIKeyBHHIFALWRBUYEJ-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.93
Rot. Bonds3

About 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine

4-[4-(3-bromoprop-1-enyl)phenyl]morpholine (PubChem CID 169476236) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
PubChem CID169476236
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name4-[4-(3-bromoprop-1-enyl)phenyl]morpholine
SMILESBrCC=Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C13H16BrNO/c14-7-1-2-12-3-5-13(6-4-12)15-8-10-16-11-9-15/h1-6H,7-11H2
InChIKeyBHHIFALWRBUYEJ-UHFFFAOYSA-N
XLogP2.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
N-[(E)-3-(4-morpholin-4-ylphenyl)prop-2-enyl]methanimine
CID 145189101
4-[4-(4-azidobut-1-enyl)phenyl]morpholine
CID 170486075
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
13-[4-[(E)-2-[4,6-bis[(E)-2-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]ethenyl]-1,3,5-triazin-2-yl]ethenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 132506106
3-(3-morpholin-4-ylphenyl)prop-2-ene-1-thiol
CID 169455965
1-(4-but-1-enylphenyl)aziridine
CID 154114150
1-[4-[(E)-2-[4-[1-hydroxy-1-(4-morpholin-4-ylphenyl)prop-2-ynyl]phenyl]ethenyl]phenyl]-1-(4-morpholin-4-ylphenyl)prop-2-yn-1-ol
CID 169006830
1-(4-morpholin-4-ylphenyl)-3-[4-[3-(4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 171481806
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
4-(3-morpholin-4-ylphenyl)but-3-enenitrile
CID 170800492
2,6-dimethyl-4-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]phenol
CID 164970433

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine?
The IUPAC name of 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine (CID 169476236) is 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine?
The canonical SMILES for 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine is BrCC=Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine?
The InChIKey is BHHIFALWRBUYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-7-1-2-12-3-5-13(6-4-12)15-8-10-16-11-9-15/h1-6H,7-11H2.
What are the key properties of 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine?
4-[4-(3-bromoprop-1-enyl)phenyl]morpholine has a molecular weight of 282.18 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-bromoprop-1-enyl)phenyl]morpholine is sourced from PubChem (CID 169476236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).