(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine

C13H18BrNO2 — CID 97154191

IUPAC(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
SMILESCCN1CCO[C@H](COc2ccccc2Br)C1
InChIInChI=1S/C13H18BrNO2/c1-2-15-7-8-16-11(9-15)10-17-13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3/t11-/m0/s1
InChIKeySRIKHQXSCOZOJL-NSHDSACASA-N
MW300.20 g/mol
LogP2.55
Rot. Bonds4

About (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine

(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine (PubChem CID 97154191) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
PubChem CID97154191
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
SMILESCCN1CCO[C@H](COc2ccccc2Br)C1
InChIInChI=1S/C13H18BrNO2/c1-2-15-7-8-16-11(9-15)10-17-13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3/t11-/m0/s1
InChIKeySRIKHQXSCOZOJL-NSHDSACASA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979761
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
4-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]but-3-yn-1-ol
CID 79172321
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 102946269
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
5-[(4-ethylmorpholin-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79166703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine?
The IUPAC name of (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine (CID 97154191) is (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine.
What is the SMILES notation for (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine?
The canonical SMILES for (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine is CCN1CCO[C@H](COc2ccccc2Br)C1.
What is the InChIKey of (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine?
The InChIKey is SRIKHQXSCOZOJL-NSHDSACASA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-2-15-7-8-16-11(9-15)10-17-13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine?
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine has a molecular weight of 300.20 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine is sourced from PubChem (CID 97154191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).