5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline

C13H19BrN2O2 — CID 79167033

IUPAC5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
SMILESCCN1CCOC(COc2ccc(Br)cc2N)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-16-5-6-17-11(8-16)9-18-13-4-3-10(14)7-12(13)15/h3-4,7,11H,2,5-6,8-9,15H2,1H3
InChIKeyHXKBJYKCBDZTFX-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.13
Rot. Bonds4

About 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline

5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline (PubChem CID 79167033) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
PubChem CID79167033
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
SMILESCCN1CCOC(COc2ccc(Br)cc2N)C1
InChIInChI=1S/C13H19BrN2O2/c1-2-16-5-6-17-11(8-16)9-18-13-4-3-10(14)7-12(13)15/h3-4,7,11H,2,5-6,8-9,15H2,1H3
InChIKeyHXKBJYKCBDZTFX-UHFFFAOYSA-N
XLogP2.13
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 102946269
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
5-bromo-2-[(4-ethylmorpholin-2-yl)methylsulfanyl]aniline
CID 79171648
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
2-[4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorophenyl]ethanamine
CID 107692794
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
(4-ethylmorpholin-2-yl)methyl 3-amino-4-bromobenzoate
CID 79182900
1-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 79165518

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline?
The IUPAC name of 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline (CID 79167033) is 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline.
What is the SMILES notation for 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline?
The canonical SMILES for 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline is CCN1CCOC(COc2ccc(Br)cc2N)C1.
What is the InChIKey of 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline?
The InChIKey is HXKBJYKCBDZTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-2-16-5-6-17-11(8-16)9-18-13-4-3-10(14)7-12(13)15/h3-4,7,11H,2,5-6,8-9,15H2,1H3.
What are the key properties of 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline?
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline has a molecular weight of 315.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline is sourced from PubChem (CID 79167033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).