4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol

C12H16BrNO2 — CID 82977781

IUPAC4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(O)ccc2Br)CCO1
InChIInChI=1S/C12H16BrNO2/c1-9-7-14(4-5-16-9)8-10-6-11(15)2-3-12(10)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyKZDSISIHJMQXSC-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.38
Rot. Bonds2

About 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol

4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol (PubChem CID 82977781) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
PubChem CID82977781
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol
SMILESCC1CN(Cc2cc(O)ccc2Br)CCO1
InChIInChI=1S/C12H16BrNO2/c1-9-7-14(4-5-16-9)8-10-6-11(15)2-3-12(10)13/h2-3,6,9,15H,4-5,7-8H2,1H3
InChIKeyKZDSISIHJMQXSC-UHFFFAOYSA-N
XLogP2.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82980054
4-[(2-bromo-5-methoxyphenyl)methyl]-2-methyl-1,4-oxazepane
CID 65326119
3-[[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]methyl]-4-bromophenol
CID 98875233
4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenol
CID 103947504
4-bromo-3-[(2,2-dimethylmorpholin-4-yl)methyl]phenol
CID 82976791
3-fluoro-4-[[(2S)-2-methylmorpholin-4-yl]methyl]aniline
CID 178034876
4-bromo-2-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553630
4-amino-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 62988425
5-tert-butyl-3-[(2-methylmorpholin-4-yl)methyl]benzene-1,2-diol
CID 17392579
4-[(3-bromo-4-methoxyphenyl)methyl]-2-methylmorpholine
CID 60705276
[4-fluoro-2-[(2-methylmorpholin-4-yl)methyl]phenyl]methanamine
CID 64768324
5-fluoro-2-[(2-methylmorpholin-4-yl)methyl]benzoic acid
CID 55170973

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol (CID 82977781) is 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol is CC1CN(Cc2cc(O)ccc2Br)CCO1.
What is the InChIKey of 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol?
The InChIKey is KZDSISIHJMQXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9-7-14(4-5-16-9)8-10-6-11(15)2-3-12(10)13/h2-3,6,9,15H,4-5,7-8H2,1H3.
What are the key properties of 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol?
4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol has a molecular weight of 286.17 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2-methylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82977781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).