4-[2-(3-bromophenyl)propyl]morpholine

C13H18BrNO — CID 12805117

IUPAC4-[2-(3-bromophenyl)propyl]morpholine
SMILESCC(CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-11(10-15-5-7-16-8-6-15)12-3-2-4-13(14)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyCOTFODVMYOQAIV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.88
Rot. Bonds3

About 4-[2-(3-bromophenyl)propyl]morpholine

4-[2-(3-bromophenyl)propyl]morpholine (PubChem CID 12805117) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)propyl]morpholine
PubChem CID12805117
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name4-[2-(3-bromophenyl)propyl]morpholine
SMILESCC(CN1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-11(10-15-5-7-16-8-6-15)12-3-2-4-13(14)9-12/h2-4,9,11H,5-8,10H2,1H3
InChIKeyCOTFODVMYOQAIV-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-N-(1-morpholin-4-ylpropan-2-yl)propan-1-amine
CID 43779491
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
1-(3-bromophenyl)-2-(1-morpholin-4-ylpropan-2-ylamino)ethanol
CID 60969893
4-[(2R)-2-(4-phenylphenyl)propyl]morpholine
CID 96566967
4-[2-(2-bromophenyl)propyl]morpholine
CID 115052168
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 84594008
4-[2-(6-methoxynaphthalen-2-yl)propyl]morpholine
CID 3055313
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97144768
4-[(3-bromophenyl)methyl]morpholine;hydrochloride
CID 17249740
2,4-dibromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 61060886

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)propyl]morpholine?
The IUPAC name of 4-[2-(3-bromophenyl)propyl]morpholine (CID 12805117) is 4-[2-(3-bromophenyl)propyl]morpholine.
What is the SMILES notation for 4-[2-(3-bromophenyl)propyl]morpholine?
The canonical SMILES for 4-[2-(3-bromophenyl)propyl]morpholine is CC(CN1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 4-[2-(3-bromophenyl)propyl]morpholine?
The InChIKey is COTFODVMYOQAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-11(10-15-5-7-16-8-6-15)12-3-2-4-13(14)9-12/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of 4-[2-(3-bromophenyl)propyl]morpholine?
4-[2-(3-bromophenyl)propyl]morpholine has a molecular weight of 284.20 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)propyl]morpholine is sourced from PubChem (CID 12805117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).