3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline

C14H22N2O2 — CID 79166695

IUPAC3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
SMILESCCN1CCOC(COc2cc(N)ccc2C)C1
InChIInChI=1S/C14H22N2O2/c1-3-16-6-7-17-13(9-16)10-18-14-8-12(15)5-4-11(14)2/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3
InChIKeyGMFCNNHRXACHJF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.68
Rot. Bonds4

About 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline

3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline (PubChem CID 79166695) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
PubChem CID79166695
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
SMILESCCN1CCOC(COc2cc(N)ccc2C)C1
InChIInChI=1S/C14H22N2O2/c1-3-16-6-7-17-13(9-16)10-18-14-8-12(15)5-4-11(14)2/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3
InChIKeyGMFCNNHRXACHJF-UHFFFAOYSA-N
XLogP1.68
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.68
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

4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
5-[(4-ethylmorpholin-2-yl)methoxy]-2-methylaniline
CID 114252444
5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
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
1-[2-[(4-ethylmorpholin-2-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 79165518
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
1-[3-[(4-ethylmorpholin-2-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79167041
1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 102946269
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline?
The IUPAC name of 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline (CID 79166695) is 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline.
What is the SMILES notation for 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline?
The canonical SMILES for 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline is CCN1CCOC(COc2cc(N)ccc2C)C1.
What is the InChIKey of 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline?
The InChIKey is GMFCNNHRXACHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-6-7-17-13(9-16)10-18-14-8-12(15)5-4-11(14)2/h4-5,8,13H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline?
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline has a molecular weight of 250.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline is sourced from PubChem (CID 79166695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).