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

C11H16N2O — CID 16775103

IUPAC4-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(N)cc2)CCO1
InChIInChI=1S/C11H16N2O/c1-9-8-13(6-7-14-9)11-4-2-10(12)3-5-11/h2-5,9H,6-8,12H2,1H3
InChIKeyQCCWJOTYPKCPHH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.49
Rot. Bonds1

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

4-(2-methylmorpholin-4-yl)aniline (PubChem CID 16775103) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(2-methylmorpholin-4-yl)aniline.

Molecular Properties

Compound Name4-(2-methylmorpholin-4-yl)aniline
PubChem CID16775103
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(2-methylmorpholin-4-yl)aniline
SMILESCC1CN(c2ccc(N)cc2)CCO1
InChIInChI=1S/C11H16N2O/c1-9-8-13(6-7-14-9)11-4-2-10(12)3-5-11/h2-5,9H,6-8,12H2,1H3
InChIKeyQCCWJOTYPKCPHH-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylmorpholin-4-yl)aniline?
The IUPAC name of 4-(2-methylmorpholin-4-yl)aniline (CID 16775103) is 4-(2-methylmorpholin-4-yl)aniline.
What is the SMILES notation for 4-(2-methylmorpholin-4-yl)aniline?
The canonical SMILES for 4-(2-methylmorpholin-4-yl)aniline is CC1CN(c2ccc(N)cc2)CCO1.
What is the InChIKey of 4-(2-methylmorpholin-4-yl)aniline?
The InChIKey is QCCWJOTYPKCPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9-8-13(6-7-14-9)11-4-2-10(12)3-5-11/h2-5,9H,6-8,12H2,1H3.
What are the key properties of 4-(2-methylmorpholin-4-yl)aniline?
4-(2-methylmorpholin-4-yl)aniline has a molecular weight of 192.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylmorpholin-4-yl)aniline is sourced from PubChem (CID 16775103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).