3-[(3-ethylmorpholin-4-yl)methyl]aniline

C13H20N2O — CID 43611627

IUPAC3-[(3-ethylmorpholin-4-yl)methyl]aniline
SMILESCCC1COCCN1Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-2-13-10-16-7-6-15(13)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10,14H2,1H3
InChIKeyWRIUEDPAGKVZJB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About 3-[(3-ethylmorpholin-4-yl)methyl]aniline

3-[(3-ethylmorpholin-4-yl)methyl]aniline (PubChem CID 43611627) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(3-ethylmorpholin-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-[(3-ethylmorpholin-4-yl)methyl]aniline
PubChem CID43611627
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(3-ethylmorpholin-4-yl)methyl]aniline
SMILESCCC1COCCN1Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O/c1-2-13-10-16-7-6-15(13)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10,14H2,1H3
InChIKeyWRIUEDPAGKVZJB-UHFFFAOYSA-N
XLogP1.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylmorpholin-4-yl)methyl]aniline?
The IUPAC name of 3-[(3-ethylmorpholin-4-yl)methyl]aniline (CID 43611627) is 3-[(3-ethylmorpholin-4-yl)methyl]aniline.
What is the SMILES notation for 3-[(3-ethylmorpholin-4-yl)methyl]aniline?
The canonical SMILES for 3-[(3-ethylmorpholin-4-yl)methyl]aniline is CCC1COCCN1Cc1cccc(N)c1.
What is the InChIKey of 3-[(3-ethylmorpholin-4-yl)methyl]aniline?
The InChIKey is WRIUEDPAGKVZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-13-10-16-7-6-15(13)9-11-4-3-5-12(14)8-11/h3-5,8,13H,2,6-7,9-10,14H2,1H3.
What are the key properties of 3-[(3-ethylmorpholin-4-yl)methyl]aniline?
3-[(3-ethylmorpholin-4-yl)methyl]aniline has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylmorpholin-4-yl)methyl]aniline is sourced from PubChem (CID 43611627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).