1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol

C15H22BrNO2 — CID 55099046

IUPAC1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2cccc(Br)c2)C(C)CO1
InChIInChI=1S/C15H22BrNO2/c1-11-10-19-12(2)9-17(11)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12,15,18H,6-7,9-10H2,1-2H3
InChIKeyMVRIBHXUVRRAKU-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol

1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol (PubChem CID 55099046) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
PubChem CID55099046
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
SMILESCC1CN(CCC(O)c2cccc(Br)c2)C(C)CO1
InChIInChI=1S/C15H22BrNO2/c1-11-10-19-12(2)9-17(11)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12,15,18H,6-7,9-10H2,1-2H3
InChIKeyMVRIBHXUVRRAKU-UHFFFAOYSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 55099044
1-(3-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-bromophenyl)propan-1-ol
CID 102728348
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(3-fluoro-4-methylphenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 81212826
1-(2,5-dimethylmorpholin-4-yl)-4,4-dimethylpentan-3-ol
CID 62624456
(3-bromophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43420926

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol (CID 55099046) is 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol is CC1CN(CCC(O)c2cccc(Br)c2)C(C)CO1.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
The InChIKey is MVRIBHXUVRRAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11-10-19-12(2)9-17(11)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12,15,18H,6-7,9-10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol?
1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol has a molecular weight of 328.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 55099046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).