4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine

C20H24BrNO2 — CID 170870395

IUPAC4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
SMILESBrc1cccc(COc2cccc(CCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H24BrNO2/c21-19-7-1-5-18(14-19)16-24-20-8-2-4-17(15-20)6-3-9-22-10-12-23-13-11-22/h1-2,4-5,7-8,14-15H,3,6,9-13,16H2
InChIKeyHJVXERRSTBTWBG-UHFFFAOYSA-N
MW390.32 g/mol
LogP4.29
Rot. Bonds7

About 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine

4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine (PubChem CID 170870395) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
PubChem CID170870395
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
SMILESBrc1cccc(COc2cccc(CCCN3CCOCC3)c2)c1
InChIInChI=1S/C20H24BrNO2/c21-19-7-1-5-18(14-19)16-24-20-8-2-4-17(15-20)6-3-9-22-10-12-23-13-11-22/h1-2,4-5,7-8,14-15H,3,6,9-13,16H2
InChIKeyHJVXERRSTBTWBG-UHFFFAOYSA-N
XLogP4.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
4-[3-(3-pyridin-2-yloxyphenyl)propyl]morpholine
CID 170869968
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
CID 170863930
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
1-bromo-3-[(3-ethylphenoxy)methyl]benzene
CID 60645294
4-[3-(3,5-dimethyl-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869436
2-[3-(3-bromophenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111807979
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine (CID 170870395) is 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine is Brc1cccc(COc2cccc(CCCN3CCOCC3)c2)c1.
What is the InChIKey of 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine?
The InChIKey is HJVXERRSTBTWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c21-19-7-1-5-18(14-19)16-24-20-8-2-4-17(15-20)6-3-9-22-10-12-23-13-11-22/h1-2,4-5,7-8,14-15H,3,6,9-13,16H2.
What are the key properties of 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine?
4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine has a molecular weight of 390.32 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine is sourced from PubChem (CID 170870395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).