1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol

C14H20BrNO2 — CID 55099044

IUPAC1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
SMILESCC1COCCN1CCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-11-10-18-8-7-16(11)6-5-14(17)12-3-2-4-13(15)9-12/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyRJYPHSRBRWUYTP-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol

1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol (PubChem CID 55099044) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
PubChem CID55099044
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
SMILESCC1COCCN1CCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-11-10-18-8-7-16(11)6-5-14(17)12-3-2-4-13(15)9-12/h2-4,9,11,14,17H,5-8,10H2,1H3
InChIKeyRJYPHSRBRWUYTP-UHFFFAOYSA-N
XLogP2.59
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

1-(3-bromophenyl)-3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 55099046
1-(4-chlorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol
CID 62628763
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)-3-(3,5-dimethylpiperidin-1-yl)propan-1-ol
CID 55099186
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
1-(2-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62629586
1-(3-bromophenyl)-1-(3-methylmorpholin-4-yl)butan-2-amine
CID 55019336
1-(3-bromophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 55099473
1-(3-bromophenyl)-N-methyl-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62613981
3-(2,5-dimethylmorpholin-4-yl)-1-(3-fluorophenyl)propan-1-ol
CID 62629462
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol (CID 55099044) is 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol is CC1COCCN1CCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
The InChIKey is RJYPHSRBRWUYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11-10-18-8-7-16(11)6-5-14(17)12-3-2-4-13(15)9-12/h2-4,9,11,14,17H,5-8,10H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol?
1-(3-bromophenyl)-3-(3-methylmorpholin-4-yl)propan-1-ol has a molecular weight of 314.22 g/mol, XLogP of 2.59, 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-(3-methylmorpholin-4-yl)propan-1-ol is sourced from PubChem (CID 55099044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).