(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine

C11H14BrNO — CID 95464743

IUPAC(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
SMILESC[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyWRLBQXLKBPIFQZ-LDYMZIIASA-N
MW256.14 g/mol
LogP2.50
Rot. Bonds1

About (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine

(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine (PubChem CID 95464743) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
PubChem CID95464743
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine
SMILESC[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1
InChIInChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1
InChIKeyWRLBQXLKBPIFQZ-LDYMZIIASA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholine
CID 66996015
5-(4-tert-butylphenyl)-2-methylmorpholine
CID 82290188
2-methyl-5-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 82297057
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
2-methyl-5-(2-methylpyrazol-3-yl)morpholine
CID 112545562
(3aR,6S,7aS)-6-(4-bromophenyl)-1-methyl-3a,4,5,6,7,7a-hexahydro-3H-[1,2]oxazolo[4,3-c]pyridine
CID 46902472
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357
2-methyl-5-(2,4,6-trimethylphenyl)morpholine
CID 82286014
(2S)-2-(4-bromophenyl)azetidine
CID 91980119
2-(4-bromophenyl)-5-propan-2-ylmorpholine
CID 79247039
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
5-(2,5-dimethoxyphenyl)-2-methylmorpholine
CID 82291906

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The IUPAC name of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine (CID 95464743) is (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine.
What is the SMILES notation for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The canonical SMILES for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine is C[C@@H]1CN[C@@H](c2ccc(Br)cc2)CO1.
What is the InChIKey of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
The InChIKey is WRLBQXLKBPIFQZ-LDYMZIIASA-N. The full InChI is InChI=1S/C11H14BrNO/c1-8-6-13-11(7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine?
(2R,5S)-5-(4-bromophenyl)-2-methylmorpholine has a molecular weight of 256.14 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-bromophenyl)-2-methylmorpholine is sourced from PubChem (CID 95464743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).