(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide

C15H21BrN2O2 — CID 84594008

IUPAC(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
SMILESCC(CN1CC(C(N)=O)O[C@H](C)C1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10?,11-,14?/m1/s1
InChIKeyIYIJQBFBVDUAHL-IQLKVPPVSA-N
MW341.25 g/mol
LogP2.13
Rot. Bonds4

About (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide

(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide (PubChem CID 84594008) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
PubChem CID84594008
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide
SMILESCC(CN1CC(C(N)=O)O[C@H](C)C1)c1cccc(Br)c1
InChIInChI=1S/C15H21BrN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10?,11-,14?/m1/s1
InChIKeyIYIJQBFBVDUAHL-IQLKVPPVSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-4-[(2R)-2-(3-chlorophenyl)propyl]-6-methylmorpholine-2-carboxamide
CID 99857105
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanol
CID 110885591
4-[2-(3-bromophenyl)propyl]morpholine
CID 12805117
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
(2R,6R)-4-[(4-bromo-3-methylphenyl)methyl]-6-methylmorpholine-2-carboxamide
CID 124516000
(8aR)-7-[(2R)-2-(3-bromophenyl)propyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97144768
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
3-(3-bromophenyl)butanethioamide
CID 83924012
(6R)-4-[2-(3-bromophenyl)sulfanylacetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536225
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanol
CID 103936768
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The IUPAC name of (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide (CID 84594008) is (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide.
What is the SMILES notation for (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The canonical SMILES for (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide is CC(CN1CC(C(N)=O)O[C@H](C)C1)c1cccc(Br)c1.
What is the InChIKey of (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide?
The InChIKey is IYIJQBFBVDUAHL-IQLKVPPVSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(12-4-3-5-13(16)6-12)7-18-8-11(2)20-14(9-18)15(17)19/h3-6,10-11,14H,7-9H2,1-2H3,(H2,17,19)/t10?,11-,14?/m1/s1.
What are the key properties of (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide?
(6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-(3-bromophenyl)propyl]-6-methylmorpholine-2-carboxamide is sourced from PubChem (CID 84594008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).