2-[(4-bromophenyl)methyl]morpholine

C11H14BrNO — CID 66730468

IUPAC2-[(4-bromophenyl)methyl]morpholine
SMILESBrc1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2
InChIKeyWHCQUFGJLIZABU-UHFFFAOYSA-N
MW256.14 g/mol
LogP1.98
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]morpholine

2-[(4-bromophenyl)methyl]morpholine (PubChem CID 66730468) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]morpholine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]morpholine
PubChem CID66730468
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[(4-bromophenyl)methyl]morpholine
SMILESBrc1ccc(CC2CNCCO2)cc1
InChIInChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2
InChIKeyWHCQUFGJLIZABU-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(morpholin-2-ylmethyl)phenyl]methanamine
CID 174949580
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
2-[(3-bromo-1H-indol-5-yl)methyl]morpholine
CID 162392059
2-[(6-methylnaphthalen-2-yl)methyl]morpholine
CID 116927898
(2R)-2-[(3-bromo-4-cyclopentyloxyphenyl)methyl]morpholine
CID 11573663
2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
CID 66434028
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
CID 142864910
2-benzylmorpholine;2-(trifluoromethyl)benzenethiol
CID 142864888
(2S)-2-[(4-bromophenyl)methyl]piperazine
CID 69489620
2-(1H-pyrrol-2-ylmethyl)morpholine
CID 116927846

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]morpholine?
The IUPAC name of 2-[(4-bromophenyl)methyl]morpholine (CID 66730468) is 2-[(4-bromophenyl)methyl]morpholine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]morpholine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]morpholine is Brc1ccc(CC2CNCCO2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]morpholine?
The InChIKey is WHCQUFGJLIZABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13H,5-8H2.
What are the key properties of 2-[(4-bromophenyl)methyl]morpholine?
2-[(4-bromophenyl)methyl]morpholine has a molecular weight of 256.14 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]morpholine is sourced from PubChem (CID 66730468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).