3-(4-methylmorpholin-2-yl)aniline

C11H16N2O — CID 82275083

IUPAC3-(4-methylmorpholin-2-yl)aniline
SMILESCN1CCOC(c2cccc(N)c2)C1
InChIInChI=1S/C11H16N2O/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3
InChIKeyWYVDLEGZFNPTEG-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.27
Rot. Bonds1

About 3-(4-methylmorpholin-2-yl)aniline

3-(4-methylmorpholin-2-yl)aniline (PubChem CID 82275083) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(4-methylmorpholin-2-yl)aniline.

Molecular Properties

Compound Name3-(4-methylmorpholin-2-yl)aniline
PubChem CID82275083
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(4-methylmorpholin-2-yl)aniline
SMILESCN1CCOC(c2cccc(N)c2)C1
InChIInChI=1S/C11H16N2O/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3
InChIKeyWYVDLEGZFNPTEG-UHFFFAOYSA-N
XLogP1.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.27
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-(4-methylmorpholin-2-yl)aniline?
The IUPAC name of 3-(4-methylmorpholin-2-yl)aniline (CID 82275083) is 3-(4-methylmorpholin-2-yl)aniline.
What is the SMILES notation for 3-(4-methylmorpholin-2-yl)aniline?
The canonical SMILES for 3-(4-methylmorpholin-2-yl)aniline is CN1CCOC(c2cccc(N)c2)C1.
What is the InChIKey of 3-(4-methylmorpholin-2-yl)aniline?
The InChIKey is WYVDLEGZFNPTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8,12H2,1H3.
What are the key properties of 3-(4-methylmorpholin-2-yl)aniline?
3-(4-methylmorpholin-2-yl)aniline has a molecular weight of 192.26 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylmorpholin-2-yl)aniline is sourced from PubChem (CID 82275083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).