1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol

C14H20BrNO2 — CID 110885591

IUPAC1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
SMILESCC1CN(CC(O)c2cccc(Br)c2)CC(C)O1
InChIInChI=1S/C14H20BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11,14,17H,7-9H2,1-2H3
InChIKeyIPDMADIIFALTGN-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds3

About 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol

1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol (PubChem CID 110885591) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
PubChem CID110885591
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
SMILESCC1CN(CC(O)c2cccc(Br)c2)CC(C)O1
InChIInChI=1S/C14H20BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11,14,17H,7-9H2,1-2H3
InChIKeyIPDMADIIFALTGN-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 103936755
2-(aziridin-1-yl)-1-(3-bromophenyl)ethanol
CID 82130110
(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 84594008
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3,5-dimethylphenyl)ethanol
CID 103936749
1-(3-bromophenyl)-2-[4-(dimethylamino)piperidin-1-yl]ethanol
CID 110898476
1-(3-bromophenyl)-2-[3-(diethylamino)pyrrolidin-1-yl]ethanol
CID 111490042
1-[4-[2-(3-bromophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanone
CID 110885594
1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
1-[2-(3-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969248
(1R)-1-(3-bromophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 95344285

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol (CID 110885591) is 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol is CC1CN(CC(O)c2cccc(Br)c2)CC(C)O1.
What is the InChIKey of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol?
The InChIKey is IPDMADIIFALTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10-7-16(8-11(2)18-10)9-14(17)12-4-3-5-13(15)6-12/h3-6,10-11,14,17H,7-9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol?
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol has a molecular weight of 314.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol is sourced from PubChem (CID 110885591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).