1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol

C14H20BrNO3 — CID 81212947

IUPAC1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
SMILESOCC1CN(CCC(O)c2ccccc2Br)CCO1
InChIInChI=1S/C14H20BrNO3/c15-13-4-2-1-3-12(13)14(18)5-6-16-7-8-19-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2
InChIKeyJUPIHGPVDUDDAG-UHFFFAOYSA-N
MW330.22 g/mol
LogP1.57
Rot. Bonds5

About 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol

1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol (PubChem CID 81212947) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
PubChem CID81212947
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
SMILESOCC1CN(CCC(O)c2ccccc2Br)CCO1
InChIInChI=1S/C14H20BrNO3/c15-13-4-2-1-3-12(13)14(18)5-6-16-7-8-19-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2
InChIKeyJUPIHGPVDUDDAG-UHFFFAOYSA-N
XLogP1.57
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
1-(4-bromo-2-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 82781196
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(3-methylphenyl)propan-1-ol
CID 81214348
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
1-(2-bromophenyl)-3-(3,4-dimethylpyrrolidin-1-yl)propan-1-ol
CID 79184405
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(2-bromophenyl)propan-1-ol
CID 62624211
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylpropan-2-ol
CID 113251778
[(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]morpholin-2-yl]methanol
CID 71062870
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol (CID 81212947) is 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol is OCC1CN(CCC(O)c2ccccc2Br)CCO1.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
The InChIKey is JUPIHGPVDUDDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c15-13-4-2-1-3-12(13)14(18)5-6-16-7-8-19-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2.
What are the key properties of 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol?
1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol has a molecular weight of 330.22 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol is sourced from PubChem (CID 81212947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).