4-(morpholin-4-ylmethyl)aniline

C11H16N2O — CID 776851

IUPAC4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyWNYFVEFUHMDIRQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.10
Rot. Bonds2

About 4-(morpholin-4-ylmethyl)aniline

4-(morpholin-4-ylmethyl)aniline (PubChem CID 776851) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)aniline
PubChem CID776851
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKeyWNYFVEFUHMDIRQ-UHFFFAOYSA-N
XLogP1.10
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 4-(morpholin-4-ylmethyl)aniline (CID 776851) is 4-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 4-(morpholin-4-ylmethyl)aniline is Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)aniline?
The InChIKey is WNYFVEFUHMDIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2.
What are the key properties of 4-(morpholin-4-ylmethyl)aniline?
4-(morpholin-4-ylmethyl)aniline has a molecular weight of 192.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 776851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).