4-[(3-bromophenyl)methyl]morpholine;hydrochloride

C11H15BrClNO — CID 17249740

IUPAC4-[(3-bromophenyl)methyl]morpholine;hydrochloride
SMILESBrc1cccc(CN2CCOCC2)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;/h1-3,8H,4-7,9H2;1H
InChIKeyHGOPOKJXJKNBLN-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.70
Rot. Bonds2

About 4-[(3-bromophenyl)methyl]morpholine;hydrochloride

4-[(3-bromophenyl)methyl]morpholine;hydrochloride (PubChem CID 17249740) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]morpholine;hydrochloride
PubChem CID17249740
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name4-[(3-bromophenyl)methyl]morpholine;hydrochloride
SMILESBrc1cccc(CN2CCOCC2)c1.Cl
InChIInChI=1S/C11H14BrNO.ClH/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;/h1-3,8H,4-7,9H2;1H
InChIKeyHGOPOKJXJKNBLN-UHFFFAOYSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-[(3-bromophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503694
4-[6-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 154883066
2-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901337
3-[[16-[(3-aminophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]aniline
CID 15495103
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
1-[(3-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 63457847
1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
CID 86686688
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
1-[(3-bromophenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 60705102
[3-(morpholin-4-ylmethyl)phenyl]boronic acid
CID 11031409
bis[3-(morpholin-4-ylmethyl)phenyl]methanone
CID 152548032
N,N-dimethyl-3-(morpholin-4-ylmethyl)aniline
CID 58543772

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(3-bromophenyl)methyl]morpholine;hydrochloride (CID 17249740) is 4-[(3-bromophenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(3-bromophenyl)methyl]morpholine;hydrochloride is Brc1cccc(CN2CCOCC2)c1.Cl.
What is the InChIKey of 4-[(3-bromophenyl)methyl]morpholine;hydrochloride?
The InChIKey is HGOPOKJXJKNBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.ClH/c12-11-3-1-2-10(8-11)9-13-4-6-14-7-5-13;/h1-3,8H,4-7,9H2;1H.
What are the key properties of 4-[(3-bromophenyl)methyl]morpholine;hydrochloride?
4-[(3-bromophenyl)methyl]morpholine;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 17249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).